Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12594806 | 0.85 | CHRM5 (0.48) | NPC1RAB9ACYP11B2CYP11B1 | |
| SCHEMBL12594726 | 0.81 | KDM4E (0.44) | NPC1RAB9ACYP11B2CYP11B1CYP3A4 | |
| SCHEMBL12594372 | 0.79 | PIM1 (0.47) | NPC1RAB9ACYP11B2CYP11B1CYP19A1 | |
| SCHEMBL1983238 | 0.78 | HSP90AA1 (0.47) | NPC1RAB9ACYP11B2CYP11B1CYP3A4 | |
| SCHEMBL1981896 | 0.78 | NPC1 (0.45) | NPC1RAB9ACYP11B2CYP11B1CYP17A1 | |
| SCHEMBL473704 | 0.76 | ADORA2A (0.45) | NPC1RAB9ACYP3A4KDM4EALDH1A1 | |
| SCHEMBL1561017 | 0.74 | CHEK2 (0.44) | NPC1RAB9ACYP3A4ATR | |
| SCHEMBL473747 | 0.72 | JAK2 (0.44) | KDM4EALDH1A1HPGDGLAATR | |
| SCHEMBL1560831 | 0.71 | PDE4A (0.42) | RAB9ACYP11B2CYP11B1CYP3A4CYP19A1 | |
| SCHEMBL12435508 | 0.70 | CYP2A6 (0.58) | NPC1RAB9ACYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011070299-A1 | TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | WO | disclosed |
| WO-2011070299-A1 | TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | WO | disclosed |