Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1980018 | 0.85 | KDM1A (0.34) | HSP90AA1HSP90AB1KDM1ANOS2SCN10A | |
| SCHEMBL1980019 | 0.85 | CHEK2 (0.40) | HSP90AA1HSP90AB1KDM1AALDH1A1 | |
| SCHEMBL1978207 | 0.78 | ABL1 (0.36) | KDM1A | |
| SCHEMBL1978989 | 0.78 | NPC1 (0.58) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30206743 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30206740 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11004268 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1979322 | 0.76 | MERTK (0.47) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL30206678 | 0.76 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL31450003 | 0.72 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1KDM1AALDH1A1SCN10A |
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 |
|---|---|---|---|---|---|---|---|
| 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-2011070298-A1 | DI-SUBSTITUTED 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 |