Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28901312 | 1.00 | CYP19A1 (0.51) | CYP19A1ABCB1GABRA1GABRG2GABRB3 | |
| SCHEMBL1972535 | 0.87 | CYP19A1 (0.66) | CYP19A1ABCB1GABRA1GABRG2GABRB3 | |
| SCHEMBL28041238 | 0.80 | MAOA (0.46) | MAOBTAAR1 | |
| SCHEMBL13548286 | 0.79 | PTGS2 (0.47) | CYP19A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL11504762 | 0.79 | GABRA1 (0.78) | CYP19A1ABCB1GABRA1GABRG2GABRB3 | |
| SCHEMBL23343786 | 0.78 | CYP4F2 (0.46) | CYP19A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL17205092 | 0.78 | TAAR1 (0.58) | CYP19A1MAOBTAAR1 | |
| SCHEMBL4060273 | 0.77 | TAAR1 (0.69) | ABCB1MAOBTAAR1HTR1ADRD2 | |
| Anisole SCHEMBL11292922 | 0.76 | CA4 (0.70) | ABCB1MAOBLTA4HTAAR1NPC1 | |
| SCHEMBL21098761 | 0.76 | FFAR4 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115073273-A | Diphenyl alkane compound and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-09-20 | — | — | CN | disclosed |