Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.68 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | MMP12 | P39900 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 6/20 | 0.53 |
| ▸ | DRD2 | P14416 | 5/20 | 0.52 |
| ▸ | DRD3 | P35462 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4178404 | 0.91 | PARP1 (0.65) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL11002313 | 0.91 | PARP1 (0.77) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL4173613 | 0.90 | PARP1 (0.63) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL28693938 | 0.88 | PARP1 (0.72) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL11004751 | 0.86 | PARP1 (0.70) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL11006154 | 0.86 | PARP1 (0.70) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL9437898 | 0.85 | PARP1 (0.68) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL12844300 | 0.85 | PARP1 (0.78) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL31033201 | 0.85 | PARP1 (0.78) | PARP1NR3C2ALDH1A1MAPTMMP12 | |
| SCHEMBL8786575 | 0.85 | PARP1 (0.68) | PARP1NR3C2ALDH1A1MAPTMMP12 |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3115361-B1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2019-10-23 | — | — | EP | disclosed |
| US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| EP-3115361-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015131856-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 | 2015-09-11 | — | — | WO | disclosed |
| CN-104892589-A | Heterocyclic compound, preparation method therefor and use thereof | SHANGHAI INST MATERIA MEDICA | 2015-09-09 | — | — | CN | disclosed |
| US-8669249-B2 | Poly (ADP-ribose) polymerase (PARP) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-11 | — | — | US | disclosed |
| US-8669249-B2 | Poly (ADP-ribose) polymerase (PARP) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-11 | — | — | US | disclosed |
| US-8669249-B2 | Poly (ADP-ribose) polymerase (PARP) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-11 | — | — | US | disclosed |
| US-20060264429-A1 | Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders | GLAXO GROUP LIMITED (GB) | 2006-11-23 | — | — | US | disclosed |
| EP-1419155-B1 | PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2006-11-08 | — | — | EP | disclosed |
| EP-1560488-A4 | ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2006-08-02 | — | — | EP | disclosed |
| EP-1562917-A1 | BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS | GLAXO GROUP LIMITED (GB) | 2005-08-17 | — | — | EP | disclosed |
| EP-1560488-A2 | ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-08-10 | — | — | EP | disclosed |
| US-20040198756-A1 | Medicaments | SMITHKLINE BEECHAM PLC (GB) | 2004-10-07 | — | — | US | disclosed |
| WO-2004046124-A1 | BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS | GLAXO GROUP LIMITED (GB) | 2004-06-03 | — | — | WO | disclosed |
| WO-2004041210-A2 | ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-05-21 | — | — | WO | disclosed |
| EP-1419155-A2 | PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2004-05-19 | — | — | EP | disclosed |
| WO-2003010138-A2 | PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2003-02-06 | — | — | WO | 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-20040198756-A1 | Medicaments | PIGO, PSAP, CD68 | PARP1 895/4885NR3C2 3611/4885ALDH1A1 1066/4885 |
| US-20060264429-A1 | Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders | XDH, CYP4X1, PDHX | PARP1 2169/4885NR3C2 712/4885ALDH1A1 313/4885 |
| US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | CYP11B2, CYP11B1, ADCYAP1R1 | PARP1 3742/4885NR3C2 50/4885ALDH1A1 485/4885 |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | CYP11B2, CYP11B1, ADCYAP1R1 | PARP1 3742/4885NR3C2 50/4885ALDH1A1 485/4885 |
“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.