Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30048942 | 0.78 | CYP1A2 (0.57) | CASP3RXFP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15724648 | 0.78 | CYP1A2 (0.57) | CASP3RXFP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23110453 | 0.78 | ESR1 (0.38) | CASP3RXFP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9828594 | 0.77 | TP53BP1 (0.45) | MCHR1TP53BP1ALDH1A1KDM4EGAA | |
| SCHEMBL6489480 | 0.77 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL1223950 | 0.75 | CYP2C19 (0.62) | CASP3RXFP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1500224 | 0.73 | NCF1 (0.55) | CYP1A2CYP2C19MCHR1HTTALDH1A1 | |
| SCHEMBL16478049 | 0.72 | DHODH (0.51) | RXFP1ALDH1A1GAANPC1 | |
| SCHEMBL1224169 | 0.72 | L3MBTL1 (0.60) | CASP3RXFP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5239938 | 0.71 | ERAP1 (0.36) | CYP1A2CYP2D6CYP2C19TP53BP1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0096214-B1 | ANTIBACTERIAL PYRIMIDINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-02-27 | — | — | EP | disclosed |
| US-4587341-A | BACTERICIDES | BURROUGHS WELLCOME CO. (US) | 1986-05-06 | — | — | US | disclosed |
| EP-0096214-A1 | Antibacterial pyrimidine compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1983-12-21 | — | — | EP | disclosed |