Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CKS1B | P61024 | 1/20 | 0.47 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8895743 | 0.88 | PTGS2 (0.48) | ALDH1A1HPGDPTGS2CYP1A2CYP3A4 | |
| SCHEMBL8917863 | 0.82 | VCAM1 (0.55) | ALDH1A1HPGDPTGS2TP53CYP1A2 | |
| SCHEMBL27652105 | 0.79 | VCAM1 (0.52) | ALDH1A1HPGDPTGS2TP53CYP1A2 | |
| SCHEMBL8334682 | 0.79 | VCAM1 (0.47) | ALDH1A1HPGDPTGS2CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL8896876 | 0.78 | SCN2A (0.40) | ALDH1A1TP53HSD17B10GAAMAPT | |
| SCHEMBL8408482 | 0.78 | HPGD (0.70) | ALDH1A1HPGDTP53CYP1A2CYP3A4 | |
| SCHEMBL8162236 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HPGDTP53CYP1A2CYP3A4 | |
| SCHEMBL20092523 | 0.77 | NR3C1 (0.57) | ALDH1A1HPGDPTGS2CYP1A2CYP2C19 | |
| SCHEMBL8816182 | 0.77 | VCAM1 (0.50) | ALDH1A1HPGDPTGS2CYP1A2CYP2C19 | |
| SCHEMBL8409498 | 0.77 | LMNA (0.50) | ALDH1A1HPGDTP53CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5693672-A | 3,4,5-substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |