Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL13965635 | 0.81 | SLC6A4 (0.38) | IDO1TDO2IDO2AHRCYP3A4 | |
| SCHEMBL6006323 | 0.76 | FFAR1 (0.46) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL8332281 | 0.75 | SLC6A3 (0.40) | IDO1TDO2IDO2PNMTTAAR1 | |
| SCHEMBL8101480 | 0.75 | SLC6A3 (0.40) | IDO1TDO2IDO2PNMTTAAR1 | |
| SCHEMBL9618278 | 0.75 | AHR (0.41) | IDO1TDO2IDO2PNMTTAAR1 | |
| SCHEMBL18459577 | 0.75 | IDO1 (0.39) | IDO1TAAR1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL16961922 | 0.74 | AHR (0.44) | IDO1TDO2IDO2AHRCYP3A4 | |
| SCHEMBL11078316 | 0.74 | IDO1 (0.47) | IDO1TDO2IDO2PNMTTAAR1 | |
| SCHEMBL1587058 | 0.72 | PNMT (0.42) | IDO1TDO2IDO2PNMTTAAR1 | |
| SCHEMBL12824482 | 0.71 | CYP3A4 (0.43) | IDO1TDO2IDO2PNMTTAAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934271-B1 | SUBSTITUTED ARYLALKYLAMINES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2003-09-03 | — | — | EP | disclosed |
| EP-0934271-A1 | SUBSTITUTED ARYLALKYLAMINES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5789422-A | PIPERIDINYL COMPOUNDS, TREATMENT OF ASTHMA, COUGH, MIGRAINE, CROHN*S DISEASE, ANTIINFLAMMATORY AGENTS | SCHERING CORPORATION (US) | 1998-08-04 | — | — | US | disclosed |
| WO-1998018761-A1 | SUBSTITUTED ARYLALKYLAMINES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1998-05-07 | — | — | WO | disclosed |