Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 2/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28117554 | 0.79 | IDO1 (0.47) | IDO1TAAR1ALDH1A1RAB9AEGFR | |
| SCHEMBL11176007 | 0.78 | GAA (0.53) | IDO1GAATAAR1ALDH1A1RAB9A | |
| SCHEMBL8633121 | 0.76 | GAA (0.42) | PLA2G1BATG4BGAAALDH1A1RAB9A | |
| SCHEMBL6895007 | 0.76 | PLA2G1B (0.48) | PLA2G1BATG4BIDO1GAALOXL2 | |
| SCHEMBL754150 | 0.75 | GAA (0.63) | GAAALDH1A1RAB9AEGFRERBB2 | |
| SCHEMBL27909467 | 0.75 | HTT (0.50) | PLA2G1BATG4BGAAALDH1A1TDP1 | |
| SCHEMBL31287299 | 0.73 | IDO1 (0.46) | IDO1ALDH1A1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL2670796 | 0.73 | IDO1 (0.46) | IDO1ALDH1A1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL9531767 | 0.73 | GAA (0.51) | PLA2G1BATG4BGAAALDH1A1RAB9A | |
| SCHEMBL7493890 | 0.73 | PLA2G1B (0.50) | PLA2G1BATG4BIDO1GAALOXL2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2931730-B1 | 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-08-07 | — | — | EP | disclosed |
| CN-106632129-B | The double thioether analog derivative, preparation method and application of (thiophene) diazole are disliked containing 1,3,4- | 贵州大学 | 2019-06-07 | — | — | CN | disclosed |
| EP-2774928-B1 | POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY | SHIONOGI & CO (JP) | 2017-08-30 | — | — | EP | disclosed |
| US-9714243-B2 | 4-pyridinonetriazine derivatives as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-07-25 | — | — | US | disclosed |
| US-9707234-B2 | Spirocyclic hetercycle compounds useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| CN-106632129-A | Disulfide derivative containing 1,3,4-oxa(thia)diazole and preparation method and application of derivative | 贵州大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106167472-A | A kind of 2,5 substituent group 1,3,4 diazole thioether analog derivatives, its preparation method and application | 贵州大学 | 2016-11-30 | — | — | CN | disclosed |
| US-20160317543-A1 | SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-11-03 | — | — | US | disclosed |
| US-9200009-B2 | Polycyclic pyridone derivative having integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-9200009-B2 | Polycyclic pyridone derivative having integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-20150329539-A1 | 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-11-19 | — | — | US | disclosed |
| WO-2015089847-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |
| WO-2015095258-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |
| US-20140256937-A1 | POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-09-11 | — | — | US | disclosed |
| US-20140256937-A1 | POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-09-11 | — | — | US | disclosed |
| EP-2774928-A1 | POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY | Shionogi & Co., Ltd. (JP) | 2014-09-10 | — | — | EP | disclosed |
| WO-2014099586-A1 | 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-06-26 | — | — | WO | disclosed |
| EP-2540720-A1 | 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2013-01-02 | — | — | EP | disclosed |
| US-20120108564-A1 | 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2012-05-03 | — | — | US | disclosed |
| US-4916237-A | Substituted 1,2,3-thiadiazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1990-04-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160317543-A1 | SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | REV1, SULT1E1, CCNY | PLA2G1B 4646/4885ATG4B 4731/4885IDO1 525/4885 |
| US-20120108564-A1 | 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor | IMPDH1, IMPA1, DPYD | PLA2G1B 3502/4885ATG4B 3485/4885IDO1 13/4885 |
| US-20140256937-A1 | POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY | TYMP, CDK6, IMPA1 | PLA2G1B 2594/4885ATG4B 3338/4885IDO1 138/4885 |
| US-20150329539-A1 | 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | TYMP, TYMS, PNPO | PLA2G1B 2637/4885ATG4B 3593/4885IDO1 7/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.