Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2958271 | 0.80 | HRH3 (0.59) | ALDH1A1KDM4ESMN1; SMN2HRH3CYP1A2 | |
| SCHEMBL5221545 | 0.79 | KDM4E (0.65) | ALDH1A1KDM4ESMN1; SMN2HRH3CYP1A2 | |
| SCHEMBL8765685 | 0.78 | ESR1 (0.41) | ESR1ESR2CXCR1ALDH1A1KDM4E | |
| SCHEMBL910859 | 0.76 | NQO1 (0.67) | ALDH1A1KDM4ESMN1; SMN2CYP1A2NQO1 | |
| SCHEMBL3074697 | 0.74 | KDM4E (0.59) | ALDH1A1KDM4ESMN1; SMN2HRH3LTA4H | |
| SCHEMBL24628864 | 0.74 | SLC6A2 (0.44) | ESR1ESR2CXCR1ALDH1A1KDM4E | |
| SCHEMBL8765689 | 0.74 | ESR1 (0.59) | ESR1ESR2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL8995211 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL6836527 | 0.73 | MMP2 (0.44) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6538461 | 0.73 | SMN1; SMN2 (0.63) | ALDH1A1KDM4ESMN1; SMN2KEAP1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5496844-A | Indole derivatives | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0639567-A1 | INDOLE DERIVATIVE | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1995-02-22 | — | — | EP | disclosed |