Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | USP2 | O75604 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | TLR2 | O60603 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9940903 | 0.85 | MCL1 (0.33) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL15267961 | 0.74 | MEN1 (0.37) | LMNA | |
| SCHEMBL9940756 | 0.70 | AURKA (0.38) | CYP1A2CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL28121872 | 0.67 | SRC (0.51) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL11086331 | 0.66 | KMT2A (0.47) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL3933029 | 0.65 | ALDH1A1 (0.66) | CYP2C9CYP2C19MAOAMAOBNPC1 | |
| SCHEMBL18993106 | 0.64 | KDM4E (0.60) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL6849018 | 0.62 | SRC (0.60) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL30631693 | 0.62 | SRC (0.60) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL29588074 | 0.62 | MAOA (0.48) | MAOAMAOBNPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2614065-B1 | SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES SRL (IT) | 2017-04-19 | — | — | EP | disclosed |