Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11024287 | 1.00 | CYP2C9 (0.39) | CYP2C9ALDH1A1ALOX15ALOX5KDM4E | |
| SCHEMBL7399872 | 0.77 | CLCN2 (0.40) | CYP2C9ALDH1A1ALOX15ALOX5KDM4E | |
| SCHEMBL9236403 | 0.76 | CYP2C9 (0.41) | CYP2C9ALDH1A1ALOX15ALOX5KDM4E | |
| SCHEMBL9525389 | 0.74 | MAP3K14 (0.35) | ALDH1A1KDM4ESIRT1HPGD | |
| SCHEMBL9482152 | 0.74 | CA2 (0.38) | TSHRHPGDCA2 | |
| SCHEMBL9526092 | 0.74 | AHR (0.41) | CA2 | |
| SCHEMBL10977242 | 0.71 | CA2 (0.36) | CA2 | |
| SCHEMBL6530620 | 0.70 | ALDH1A1 (0.50) | CYP2C9ALDH1A1ALOX15ALOX5KDM4E | |
| SCHEMBL7636369 | 0.68 | PARP1 (0.43) | CYP2C9ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL18936173 | 0.66 | ALDH1A1 (0.44) | CYP2C9ALDH1A1ALOX15ALOX5KDM4E |
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-4880801-A | ALPHA 2-ADRENORECEPTOR ANTAGONIST | GLAXO GROUP LIMITED (GB) | 1989-11-14 | — | — | US | disclosed |
| EP-0162593-A1 | Heterocyclic amino compounds | GLAXO GROUP LIMITED (GB) | 1985-11-27 | — | — | EP | disclosed |