Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17069012 | 0.80 | NUDT1 (0.36) | RAB9AGAATRPA1NPC1ATM | |
| SCHEMBL16481978 | 0.77 | IDO1 (0.45) | RAB9AKMT2AGAANPC1HPGD | |
| SCHEMBL17194967 | 0.74 | NOTUM (0.35) | GABRA1GABRB2TRPA1HPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4345831 | 0.73 | HPGD (0.38) | MEN1RAB9AKMT2AGAANPC1 | |
| SCHEMBL21163205 | 0.73 | ADORA2A (0.36) | RAB9AGAANPC1HPGDALDH1A1 | |
| SCHEMBL21091021 | 0.72 | ADRA2A (0.31) | HPGDCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24360032 | 0.72 | DCUN1D1 (0.50) | MEN1RAB9AKMT2AGAATRPA1 | |
| SCHEMBL29724732 | 0.71 | KDM4E (0.48) | GAAHPGDKDM4EHSD17B10CYP1A2 | |
| SCHEMBL535697 | 0.71 | KDM4E (0.48) | GAAHPGDKDM4EHSD17B10CYP1A2 | |
| SCHEMBL15527240 | 0.70 | CD44 (0.39) | MEN1RAB9AKMT2AGAANPC1 |
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 |