Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 10/20 | 0.66 |
| ▸ | CA2 | P00918 | 8/20 | 0.66 |
| ▸ | CA1 | P00915 | 5/20 | 0.66 |
| ▸ | CA9 | Q16790 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL7545318 | 0.86 | CA4 (0.49) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL6163498 | 0.83 | CA4 (0.69) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL21172119 | 0.83 | CA4 (0.61) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL1220588 | 0.81 | CA4 (0.65) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL14980286 | 0.81 | CA4 (0.65) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL1219306 | 0.80 | CA4 (0.67) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL13828097 | 0.78 | CA4 (0.61) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL408184 | 0.78 | CA4 (0.61) | CA4CA2CA1CA9ALDH1A1 | |
| SCHEMBL6770401 | 0.75 | OPRM1 (0.77) | ALDH1A1OPRM1 | |
| SCHEMBL6767006 | 0.75 | OPRM1 (0.58) | OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |