Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 9/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.57 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL753015 | 0.86 | CYP11B1 (0.55) | CYP11B1CYP11B2GPBAR1CA12CA1 | |
| SCHEMBL3932992 | 0.85 | CYP11B1 (0.56) | CYP11B1CYP11B2GPBAR1IDO1 | |
| SCHEMBL15795442 | 0.84 | CYP11B1 (0.56) | CYP11B1CYP11B2GPBAR1IDO1CYP19A1 | |
| Hydrochloric Acid SCHEMBL28186334 | 0.84 | CYP11B1 (0.54) | CYP11B1CYP11B2GPBAR1IDO1 | |
| SCHEMBL7488391 | 0.84 | CYP11B1 (0.47) | CYP11B1CYP11B2GPBAR1IDO1 | |
| SCHEMBL27353030 | 0.83 | CYP11B1 (0.54) | CYP11B1CYP11B2GPBAR1IDO1CYP19A1 | |
| SCHEMBL17684662 | 0.82 | CYP11B1 (0.70) | CYP11B1CYP11B2GPBAR1CA12CA1 | |
| SCHEMBL9121334 | 0.81 | CYP11B1 (0.55) | CYP11B1CYP11B2GPBAR1RAB9AIDO1 | |
| SCHEMBL9091320 | 0.81 | CYP11B1 (0.54) | CYP11B1CYP11B2GPBAR1RAB9AIDO1 | |
| SCHEMBL6708657 | 0.81 | CYP11B1 (0.72) | CYP11B1CYP11B2CYP19A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1083897-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-1083897-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062513-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |