Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13039484 | 0.82 | ADRA1A (0.46) | TAAR1ADRA1AIDO1AOC3KDM4E | |
| SCHEMBL9154102 | 0.81 | CYP2D6 (0.53) | TAAR1ADRA1AIDO1AOC3HSD17B10 | |
| SCHEMBL13255038 | 0.81 | TAAR1 (0.68) | TAAR1ADRA1AIDO1HTR2A | |
| SCHEMBL17344189 | 0.81 | ADRA1A (0.44) | TAAR1ADRA1AIDO1AOC3KDM4E | |
| SCHEMBL3149899 | 0.81 | ADRA1A (0.68) | TAAR1ADRA1AIDO1AOC3HSD17B10 | |
| SCHEMBL25721886 | 0.79 | GPR84 (0.47) | TAAR1ADRA1AIDO1HSD17B10HTR2A | |
| SCHEMBL5008409 | 0.79 | TUBB4A (0.51) | TAAR1IDO1AOC3 | |
| SCHEMBL23153214 | 0.78 | PTGS2 (0.44) | TAAR1ADRA1A | |
| SCHEMBL15034660 | 0.78 | ADRA1A (0.42) | TAAR1ADRA1AIDO1AOC3KDM4E | |
| SCHEMBL13027433 | 0.78 | ADRA1A (0.42) | TAAR1ADRA1AIDO1AOC3KDM4E |
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 |