Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.44 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28756282 | 0.89 | MKNK1 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL27768494 | 0.82 | DAGLA (0.57) | ALDH1A1CES1DAGLA | |
| SCHEMBL27768589 | 0.81 | CES1 (0.53) | ALDH1A1CES1DAGLA | |
| SCHEMBL13984428 | 0.76 | HSP90AA1 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL9346559 | 0.76 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL27605054 | 0.73 | KMO (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL27768691 | 0.73 | CYP3A4 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL3199709 | 0.73 | FAAH (0.70) | CES1DAGLA | |
| SCHEMBL24623245 | 0.72 | ADRB2 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1 | |
| SCHEMBL27768478 | 0.72 | CHRNB2 (0.63) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102850324-A | Indole compounds | MICROBIA INC | 2013-01-02 | — | — | CN | disclosed |
| CN-101563337-A | Indole compounds | MICROBIA INC (US) | 2009-10-21 | — | — | CN | disclosed |