Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30576431 | 0.84 | AKR1B1 (0.48) | AKR1B1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL1853092 | 0.84 | AKR1B1 (0.48) | AKR1B1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL1837302 | 0.77 | POLB (0.50) | ABCB1 | |
| SCHEMBL8704118 | 0.76 | AKR1B1 (0.60) | AKR1B1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL7055513 | 0.74 | KEAP1 (0.47) | CYP19A1 | |
| SCHEMBL4397437 | 0.74 | TAAR1 (0.48) | AKR1B1GABRA1GABRB2 | |
| SCHEMBL8702394 | 0.74 | AKR1B1 (0.53) | AKR1B1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL21387044 | 0.74 | CYP19A1 (0.55) | AKR1B1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL15079885 | 0.73 | TSHR (0.57) | — | |
| SCHEMBL2978394 | 0.72 | CALM1 (0.51) | CALM1CYP19A1 |
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-3542780-B1 | SERIES OF SKIN-WHITENING (LIGHTENING) COMPOUNDS | UNIGEN INC (US) | 2022-01-19 | — | — | EP | disclosed |