Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 6/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11401085 | 0.75 | NQO2 (0.53) | NQO2CYP19A1ADRB2KDM4EALDH1A1 | |
| SCHEMBL22408131 | 0.75 | PDE3B (0.35) | NQO2CYP19A1KDM4EHPGDTUBB1 | |
| SCHEMBL3860178 | 0.72 | KDM4E (0.45) | NQO2CYP19A1ARP2RX7CA12 | |
| SCHEMBL20505539 | 0.72 | KDM4E (0.63) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28427455 | 0.71 | CA12 (0.44) | NQO2CYP19A1ARCA12CA9 | |
| SCHEMBL12559831 | 0.71 | NQO2 (0.55) | NQO2CYP19A1ADRB2KDM4EALDH1A1 | |
| SCHEMBL6378203 | 0.71 | CA12 (0.45) | NQO2CYP19A1CA12CA9PDE4A | |
| SCHEMBL20504646 | 0.71 | GLA (0.50) | KDM4EALDH1A1GLAHPGDCYP1A2 | |
| SCHEMBL20505564 | 0.71 | KDM4E (0.47) | KDM4EALDH1A1GLAHPGD | |
| SCHEMBL29153226 | 0.70 | NQO2 (0.46) | NQO2CYP19A1CA12CA9ADRB2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106795117-B | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2020-06-26 | — | — | CN | disclosed |
| US-10464926-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2019-11-05 | — | — | US | disclosed |
| EP-3186240-B1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMA CO LTD (JP) | 2019-06-12 | — | — | EP | disclosed |
| US-20180312488-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2018-11-01 | — | — | US | disclosed |
| US-10053446-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2018-08-21 | — | — | US | disclosed |
| US-20170253576-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2017-09-07 | — | — | US | disclosed |
| EP-3186240-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | Otsuka Pharmaceutical Co., Ltd. (JP) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016031255-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2016-03-03 | — | — | 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-10053446-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | FNTB, SLC11A2, TBCD | NQO2 97/4885CYP19A1 4720/4885AR 2872/4885 |
| US-10464926-B2 | Heterobicyclic compounds and their use for the treatment of tuberculosis | FNTB, SLC11A2, TBCD | NQO2 97/4885CYP19A1 4720/4885AR 2872/4885 |
| US-20180312488-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | FNTB, SLC11A2, TBCD | NQO2 97/4885CYP19A1 4720/4885AR 2872/4885 |
| US-20170253576-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | FNTB, SLC11A2, TBCD | NQO2 97/4885CYP19A1 4720/4885AR 2872/4885 |
“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.