Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 3/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GCG | P01275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3754844 | 0.88 | PTGDR2 (0.45) | CYP1A2MAPK1CYP3A4ACLYS100A4 | |
| SCHEMBL9537317 | 0.81 | MEN1 (0.44) | CYP1A2MAPK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9652976 | 0.79 | CYP2C19 (0.47) | AHRCYP1A2CYP2C19FFAR1FFAR4 | |
| SCHEMBL11734949 | 0.78 | CYP1A2 (0.59) | AHRIDO1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL11712781 | 0.76 | CYP2A6 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CNR1 | |
| SCHEMBL11287245 | 0.75 | CNR1 (0.42) | AHRIDO1CYP2C19ACLYGCGR | |
| SCHEMBL130659 | 0.73 | IDO1 (0.60) | IDO1CYP1A2MAPK1CYP3A4CYP2C9 | |
| SCHEMBL5535893 | 0.72 | ESR1 (0.38) | AHRCYP1A2NOTUMLMNACYP2A6 | |
| SCHEMBL4390296 | 0.71 | PSEN1 (0.43) | MAPK1GCGRMAPK14FFAR1FFAR4 | |
| SCHEMBL2473835 | 0.70 | AHR (0.54) | AHRIDO1CYP1A2CYP3A4S100A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991011448-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1991-08-08 | — | — | WO | disclosed |