Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | HPGD | P15428 | 1/20 | 0.82 |
| ▸ | XBP1 | P17861 | 1/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.82 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 13/20 | 0.66 |
| ▸ | CSF1R | P07333 | 1/20 | 0.64 |
| ▸ | MDM4 | O15151 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11559665 | 0.93 | ALDH1A1 (0.70) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL28800459 | 0.90 | ALDH1A1 (1.00) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL2715272 | 0.90 | ALDH1A1 (1.00) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL11301354 | 0.86 | ALDH1A1 (0.76) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL7673201 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL2956667 | 0.84 | ALDH1A1 (0.73) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL7560803 | 0.84 | ALDH1A1 (0.73) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL11343435 | 0.84 | ALOX15 (0.60) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL11304644 | 0.82 | ALDH1A1 (0.86) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL11560335 | 0.82 | ALDH1A1 (0.70) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 |
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-4255442-A | 2-[(Methylsulfinyl)]-3-phenylindoles | SCHERING CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |
| EP-0000972-A2 | 2-Substituted-3-phenylindoles, their preparation, and pharmaceutical compositions containing them | Technobiotic Ltd. (CH) | 1979-03-07 | — | — | EP | disclosed |