Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | PPM1B | O75688 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13616930 | 0.84 | ALDH1A1 (0.45) | CYP3A4TP53ALDH1A1PPM1BPTPN1 | |
| SCHEMBL763361 | 0.82 | TP53 (0.46) | CYP3A4TP53ALDH1A1PPM1BPTPN1 | |
| SCHEMBL10289783 | 0.82 | TP53 (0.46) | CYP3A4TP53ALDH1A1PPM1BPTPN1 | |
| SCHEMBL2295020 | 0.82 | TP53 (0.46) | CYP3A4TP53ALDH1A1PPM1BPTPN1 | |
| SCHEMBL1296369 | 0.82 | TP53 (0.52) | CYP3A4TP53ACHEEPHX1PPM1B | |
| SCHEMBL1297101 | 0.81 | TP53 (0.44) | CYP3A4TP53ALDH1A1ACHEPPM1B | |
| SCHEMBL1296290 | 0.81 | TP53 (0.44) | CYP3A4TP53ALDH1A1PPM1BPTPN1 | |
| SCHEMBL18104694 | 0.80 | ALDH1A1 (0.41) | CYP3A4TP53ALDH1A1ATMCHRM2 | |
| SCHEMBL16508896 | 0.79 | TP53 (0.42) | CYP3A4TP53ALDH1A1PPM1BPTPN1 | |
| SCHEMBL1295946 | 0.78 | TSHR (0.44) | CYP3A4TP53ALDH1A1ACHETHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4318900-A | STIMULANTS | WILKINSON SWORD LIMITED (GB) | 1982-03-09 | — | — | US | disclosed |
| US-4248859-A | USED IN EDIBLE AND TOPICAL PREPARATIONS | WILKINSON SWORD LIMITED (GB) | 1981-02-03 | — | — | US | disclosed |