Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9728420 | 0.74 | ALOX5 (0.37) | MEN1KMT2AMAPTHDAC8 | |
| SCHEMBL212959 | 0.74 | RAB9A (0.60) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6 | |
| SCHEMBL9727832 | 0.73 | CYP2A6 (0.49) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6 | |
| SCHEMBL9727980 | 0.73 | TGFBR1 (0.51) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6 | |
| SCHEMBL12158050 | 0.72 | MAPT (0.59) | MEN1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL13159778 | 0.70 | KIF11 (0.56) | MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28148469 | 0.67 | HPGDS (0.47) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6 | |
| SCHEMBL28324755 | 0.66 | CYP2A6 (0.58) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6 | |
| SCHEMBL13910994 | 0.65 | CYP2A6 (0.70) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6 | |
| SCHEMBL9048089 | 0.65 | ROCK2 (0.32) | MAPTSMN1; SMN2PKM |
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-5128340-A | Thiazole derivatives | AKZO N.V. (NL) | 1992-07-07 | — | — | US | disclosed |