Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 4/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | BCL6 | P41182 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24405997 | 0.81 | MAPT (0.39) | CYP1A2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL24405919 | 0.81 | CYP1A2 (0.47) | CYP1A2ARALDH1A1KDM4EPOLB | |
| SCHEMBL24405778 | 0.80 | RXFP1 (0.41) | CYP1A2ALDH1A1KDM4EPOLBRXFP1 | |
| SCHEMBL13376862 | 0.64 | PGR (0.64) | CYP1A2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL24405665 | 0.63 | TP53 (0.53) | ALDH1A1KDM4EMAPTNPSR1PGR | |
| SCHEMBL29798837 | 0.62 | CYP1A2 (0.55) | CYP1A2ALDH1A1KDM4EHSD17B10PGR | |
| SCHEMBL474339 | 0.62 | CYP1A2 (0.55) | CYP1A2ALDH1A1KDM4EHSD17B10PGR | |
| SCHEMBL4300398 | 0.62 | TSHR (0.45) | ALDH1A1KDM4EHSD17B10MAPTGAA | |
| SCHEMBL6362809 | 0.62 | PGR (0.68) | CYP1A2ALDH1A1KDM4EPGRSMN1; SMN2 | |
| SCHEMBL4301269 | 0.62 | PSMB5 (0.42) | ARGABRA1GABRG2GABRB3GABRA3 |
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 |