Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835771 | 0.75 | TBXAS1 (0.50) | CYP17A1TBXAS1CYP11B1CYP11B2KMT2A | |
| SCHEMBL9837046 | 0.72 | TBXAS1 (0.43) | ALDH1A1NPC1RAB9ACYP17A1TBXAS1 | |
| SCHEMBL9784397 | 0.69 | CYP17A1 (0.64) | ALDH1A1NPC1RAB9ACYP17A1CYP3A4 | |
| SCHEMBL10851529 | 0.68 | TBXAS1 (0.75) | NPC1KDM4EHTTTBXAS1 | |
| SCHEMBL9612645 | 0.68 | SMN1; SMN2 (0.46) | ALDH1A1NPC1RAB9AHPGDKDM4E | |
| SCHEMBL10670837 | 0.67 | CYP26A1 (0.56) | CYP17A1CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL3743305 | 0.66 | NPC1 (0.38) | ALDH1A1NPC1RAB9ANPSR1CYP2C9 | |
| SCHEMBL9836161 | 0.66 | TBXAS1 (0.54) | NPC1RAB9ACYP17A1TBXAS1CYP11B1 | |
| SCHEMBL9835558 | 0.66 | TBXAS1 (0.63) | CYP17A1TBXAS1CYP11B1CYP11B2 | |
| SCHEMBL9791461 | 0.66 | CYP17A1 (0.57) | ALDH1A1CYP17A1CYP3A4NPSR1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-87102672-A | Thioindol derivatives, process for their preparation and their use | — | 1987-11-04 | — | — | CN | disclosed |