Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL662503 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP2D6APEX1PMP22SIGMAR1 | |
| SCHEMBL10918313 | 0.78 | IDO1 (0.44) | CYP1A2IDO1TAAR1SLC6A2SLC6A3 | |
| SCHEMBL10922708 | 0.76 | TRPA1 (0.55) | IDO1TAAR1 | |
| P-Iodoamphetamine SCHEMBL10432865 | 0.76 | TAAR1 (0.61) | CYP1A2CYP2D6SIGMAR1TAAR1SLC6A2 | |
| P-Iodoamphetamine SCHEMBL1006211 | 0.76 | TAAR1 (0.61) | CYP1A2CYP2D6SIGMAR1TAAR1SLC6A2 | |
| P-Iodoamphetamine SCHEMBL166055 | 0.76 | TAAR1 (0.61) | CYP1A2CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL3037011 | 0.76 | SLC6A2 (0.61) | IDO1TAAR1SLC6A2SLC6A3 | |
| SCHEMBL2454081 | 0.76 | IDO1 (0.48) | PMP22IDO1SLC6A2SLC6A3 | |
| SCHEMBL1416816 | 0.76 | CYP1A2 (0.55) | CYP1A2CYP2D6APEX1PMP22SIGMAR1 | |
| SCHEMBL7489625 | 0.76 | TAAR1 (0.61) | CYP1A2CYP3A4TAAR1SLC6A2 |
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 |