Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | DAGLA | Q9Y4D2 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1779273 | 0.69 | MAPK1 (0.46) | ALDH1A1GAANPC1SMN1; SMN2POLB | |
| SCHEMBL18839655 | 0.69 | ALDH1A1 (0.39) | MEN1KMT2AALDH1A1TRPV1GAA | |
| SCHEMBL15017837 | 0.68 | TP53 (0.40) | MEN1KMT2ATRPV1SMN1; SMN2RAB9A | |
| SCHEMBL28711299 | 0.68 | ALDH1A1 (0.40) | CYP1A2CYP2C19MEN1CYP3A4CYP2D6 | |
| SCHEMBL18839929 | 0.68 | NAALAD2 (0.38) | MEN1KMT2AALDH1A1TRPV1GAA | |
| SCHEMBL3709122 | 0.67 | MAPK1 (0.37) | CYP1A2CYP2C19MEN1CYP2C9KMT2A | |
| SCHEMBL10675456 | 0.65 | L3MBTL1 (0.39) | CYP1A2CYP2C19MEN1CYP3A4CYP2D6 | |
| SCHEMBL28976472 | 0.64 | HCAR3 (0.42) | CYP1A2CYP2C19MEN1CYP3A4CYP2D6 | |
| SCHEMBL3869686 | 0.64 | DAGLA (0.38) | ALDH1A1DAGLA | |
| SCHEMBL4237037 | 0.64 | HTT (0.39) | CYP2C19CYP2D6KMT2AALDH1A1NPC1 |
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-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |