Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29848301 | 0.84 | TDP1 (0.55) | CYP2A6CYP2A13TDP1ALDH1A1HSD17B10 | |
| SCHEMBL1002405 | 0.84 | TDP1 (0.55) | CYP2A6CYP2A13TDP1ALDH1A1HSD17B10 | |
| SCHEMBL11527140 | 0.82 | BACE1 (0.38) | CYP2A6CYP2A13KMT2AALDH1A1HSD17B10 | |
| SCHEMBL8964348 | 0.78 | CYP2A6 (0.48) | CYP2A6CYP2A13TDP1ALDH1A1HSD17B10 | |
| SCHEMBL3176178 | 0.76 | CYP2A6 (0.47) | CYP2A6CYP2A13KMT2AALDH1A1HSD17B10 | |
| SCHEMBL29954002 | 0.76 | ERN1 (0.52) | CYP2A6CYP2A13 | |
| SCHEMBL4401250 | 0.76 | ERN1 (0.52) | CYP2A6CYP2A13 | |
| SCHEMBL15390837 | 0.76 | TDP1 (0.37) | TDP1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL14741400 | 0.74 | CYP2A6 (0.45) | CYP2A6CYP2A13TDP1KMT2AALDH1A1 | |
| SCHEMBL27994638 | 0.74 | CYP2A6 (0.45) | CYP2A6CYP2A13TDP1ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991012000-A1 | ANILINE DERIVATIVES OF α-STYRYL CARBINOLS AS ANTIFUNGAL AGENTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-08-22 | — | — | WO | disclosed |