Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5119712 | 0.83 | CYP3A4 (0.42) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL28204847 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL21733355 | 0.81 | CYP3A4 (0.36) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL27060073 | 0.81 | CD44 (0.41) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL4543786 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| Bromide SCHEMBL28807681 | 0.74 | CYP3A4 (0.37) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL24118134 | 0.72 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL16707367 | 0.72 | PGK1 (0.31) | — | |
| SCHEMBL16232926 | 0.72 | TSHR (0.41) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL28461070 | 0.71 | CASP1 (0.39) | ALDH1A1CYP3A4TSHRMAPK1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1343791-A2 | SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002059129-A2 | SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-01 | — | — | WO | disclosed |