Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HK1 | P19367 | 1/20 | 0.47 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12190142 | 0.84 | CYP11B2 (0.58) | CYP2A6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL24115004 | 0.84 | AOC3 (0.53) | CYP2A6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7808056 | 0.83 | KMT2A (0.67) | CYP2A6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL22005143 | 0.83 | ACLY (0.48) | ALDH1A1KMT2ANPC1TP53RAB9A | |
| SCHEMBL16760311 | 0.82 | CYP11B1 (0.49) | CYP2A6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1605251 | 0.82 | CYP11B2 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11662919 | 0.81 | KMT2A (0.68) | ALDH1A1KMT2AMAOBSMN1; SMN2KDM4E | |
| SCHEMBL18940539 | 0.80 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL13444463 | 0.79 | KMT2A (0.53) | CYP2A6CYP1A2KMT2AMAOAMAOB | |
| SCHEMBL1605704 | 0.75 | AOC3 (0.56) | CYP2A6CYP3A4CYP2C9CYP2C19CYP1A2 |
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-2009156462-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-12-30 | — | — | WO | disclosed |