Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24623064 | 0.80 | CYP2C19 (0.55) | CYP2C19LMNAKMT2AALDH1A1ALOX15B | |
| SCHEMBL14305108 | 0.78 | CYP2C19 (0.53) | CYP2C19LMNAKMT2AALDH1A1ALOX15B | |
| SCHEMBL22602165 | 0.77 | CYP2C19 (0.36) | CYP2C19CYP1A2CYP2C9LMNACYP3A4 | |
| SCHEMBL16399969 | 0.76 | CYP1A2 (0.50) | CYP2C19CYP1A2CYP2C9LMNACYP3A4 | |
| SCHEMBL16399967 | 0.76 | CYP1A2 (0.50) | CYP2C19CYP1A2CYP2C9LMNACYP3A4 | |
| SCHEMBL19914300 | 0.76 | CYP1A2 (0.46) | CYP2C19CYP1A2CYP2C9LMNACYP3A4 | |
| SCHEMBL16399731 | 0.75 | CYP1A2 (0.46) | CYP2C19CYP1A2CYP2C9LMNACYP3A4 | |
| SCHEMBL16399734 | 0.75 | CYP1A2 (0.46) | CYP2C19CYP1A2CYP2C9LMNACYP3A4 | |
| SCHEMBL22966580 | 0.72 | CYP1A2 (0.44) | CYP2C19CYP1A2CYP2C9LMNACYP3A4 | |
| SCHEMBL21163832 | 0.71 | CYP1A2 (0.41) | CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6 |
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-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |