Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL24405665 | 0.75 | TP53 (0.53) | GRM4PGRHTR7KDM4EMEN1 | |
| SCHEMBL21463352 | 0.74 | AURKA (0.51) | CYP1A2GABRA5KDM4EMEN1KMT2A | |
| SCHEMBL21463394 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP3A4TGFBR1GRM4PGR | |
| SCHEMBL23470178 | 0.72 | PGR (0.51) | CYP1A2GRM4GABRA5PGRATM | |
| SCHEMBL24405808 | 0.72 | AR (0.48) | CYP3A4GRM4PGRGSR | |
| SCHEMBL19486458 | 0.71 | TSHR (0.69) | GSRMEN1KMT2A | |
| SCHEMBL30527437 | 0.70 | CA12 (0.60) | CYP1A2CYP3A4GRM4GABRA5ATM | |
| SCHEMBL9108425 | 0.70 | CA12 (0.36) | CYP1A2CYP3A4TGFBR1GRM4KDM4E | |
| SCHEMBL12251818 | 0.69 | PDE3B (0.44) | CYP1A2CYP3A4TGFBR1GABRA5ATM | |
| SCHEMBL31425940 | 0.69 | PDE3B (0.44) | CYP1A2CYP3A4TGFBR1GABRA5ATM |
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-3774739-B1 | FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST | RAQUALIA PHARMA INC (JP) | 2022-05-11 | — | — | EP | disclosed |