Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13934090 | 0.84 | CA1 (0.59) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL3647821 | 0.83 | LMNA (0.57) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL10688044 | 0.83 | CYP1A2 (0.53) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL2313220 | 0.81 | LMNA (0.59) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL1513766 | 0.81 | CETP (0.44) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL87450 | 0.81 | CA1 (0.83) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL6280244 | 0.80 | CA1 (0.48) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL5190217 | 0.80 | ALDH1A1 (0.70) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL15425 | 0.80 | ALDH1A1 (0.70) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL429412 | 0.80 | LMNA (0.67) | LMNACYP1A2CYP3A4MAOACA1 |
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-4405644-A | BICARBOCYCLIC ARYL UREA OR THIOUREA COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1983-09-20 | — | — | US | disclosed |