Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11561585 | 0.79 | CTSC (0.49) | CYP1A2ELANECTSCHTR2CHTR2B | |
| SCHEMBL11159002 | 0.78 | ELANE (0.40) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL474619 | 0.78 | HTR2C (0.47) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL11544340 | 0.78 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL7380845 | 0.77 | PRCP (0.35) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL11406016 | 0.77 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL28274418 | 0.76 | HTR2C (0.46) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL11489216 | 0.76 | ELANE (0.40) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL11421884 | 0.75 | HTR2C (0.48) | ELANEHTR2CHTR2BALDH1A1 | |
| SCHEMBL7582887 | 0.75 | TDP1 (0.46) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE |
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 |
|---|---|---|---|---|---|---|---|
| US-4320057-A | Aryl--pyrrolo--thiazepin--diones and aryl--piperidino--thiazepin--diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-03-16 | — | — | US | disclosed |