Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL1021321 | 0.84 | CYP3A4 (0.48) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL31597 | 0.79 | CYP3A4 (0.68) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL10869858 | 0.79 | CYP3A4 (0.68) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL29737260 | 0.78 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL27900818 | 0.78 | CYP3A4 (0.66) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL29350148 | 0.78 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL15384 | 0.78 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL28174227 | 0.78 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL19733056 | 0.78 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL13645354 | 0.77 | GABRA1 (0.44) | CYP3A4TRPA1ALDH1A1HPGDTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4348413-A | Anti-arrhythmic N-[3-alkylaminopropyl]-N'-phenylureas | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-09-07 | — | — | US | disclosed |
| EP-0007184-B1 | UREA DERIVATIVES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-06-30 | — | — | EP | disclosed |
| WO-1980000151-A1 | N-(3-ALKYLAMINOPROPYL)-N'-PHENYLUREAS | AMERICAN HOME PROD (US) | 1980-02-07 | — | — | WO | disclosed |
| EP-0007184-A1 | Urea derivatives, processes for preparing them and compositions containing them | AMERICAN HOME PRODUCTS CORPORATION (US) | 1980-01-23 | — | — | EP | disclosed |