Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4680090 | 0.86 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL6581676 | 0.86 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL7025675 | 0.81 | IDO1 (0.38) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL736454 | 0.78 | HTR1A (0.42) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL7498979 | 0.78 | SLC6A2 (0.38) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL10667203 | 0.78 | SLC6A4 (0.41) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL10667194 | 0.76 | SLC6A2 (0.38) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL6006323 | 0.76 | FFAR1 (0.46) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL4677515 | 0.75 | SLC6A3 (0.40) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 | |
| SCHEMBL6577169 | 0.75 | SLC6A3 (0.40) | SLC6A4SLC6A2SLC6A3AHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1345899-B1 | N-substituted amides as NK1 receptor antagonists | ASTRAZENECA AB (SE) | 2009-01-14 | — | — | EP | disclosed |