Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8472476 | 0.83 | CYP2A6 (0.51) | CYP2A6CYP3A4NPY5RALDH1A1CYP1A2 | |
| SCHEMBL9727980 | 0.80 | TGFBR1 (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL22650223 | 0.80 | CYP2A6 (0.49) | CYP2A6CYP3A4NPY5RALDH1A1CYP1A2 | |
| SCHEMBL31469332 | 0.80 | CYP2A6 (0.49) | CYP2A6CYP3A4NPY5RALDH1A1CYP1A2 | |
| SCHEMBL13494032 | 0.75 | GPR35 (0.54) | CYP2A6CYP3A4NPY5RALDH1A1CYP1A2 | |
| SCHEMBL31469304 | 0.74 | CYP2A6 (0.40) | CYP2A6CYP3A4NPY5RALDH1A1CYP1A2 | |
| SCHEMBL14564368 | 0.73 | RORB (0.42) | ALDH1A1LMNAHPGDL3MBTL1 | |
| SCHEMBL12158050 | 0.73 | MAPT (0.59) | ALDH1A1LMNANPC1HPGDSMN1; SMN2 | |
| SCHEMBL9728291 | 0.73 | CYP2A6 (0.42) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL13910994 | 0.71 | CYP2A6 (0.70) | CYP2A6CYP3A4NPY5RALDH1A1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5128340-A | Thiazole derivatives | AKZO N.V. (NL) | 1992-07-07 | — | — | US | disclosed |
| EP-0372125-A1 | Oxazole and thiazole derivatives | AKZO N.V. (NL) | 1990-06-13 | — | — | EP | disclosed |
| EP-0368384-A1 | Thiazole derivatives | AKZO N.V. (NL) | 1990-05-16 | — | — | EP | disclosed |