Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.56 |
| ▸ | AHR | P35869 | 2/20 | 0.56 |
| ▸ | VDR | P11473 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL786115 | 0.85 | METAP1 (0.54) | NR1I3ATMMAPK1KDM4EABCG2 | |
| SCHEMBL27694078 | 0.84 | CYP1A2 (0.72) | NR1I3CYP1A2CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL16404325 | 0.82 | CYP1A2 (0.67) | CYP1A2MAPTCYP2C19CYP1A1CYP1B1 | |
| SCHEMBL16040578 | 0.79 | KDM1A (0.56) | NR1I3MAPTKDM4ELMNAABCB1 | |
| SCHEMBL24392154 | 0.77 | KDM4E (0.56) | NR1I3CYP1A2CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL11826398 | 0.76 | NR1I3 (0.67) | NR1I3CYP1A2CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL21679742 | 0.76 | METAP1 (0.54) | NR1I3ATMMAPK1KDM4ELMNA | |
| SCHEMBL26857407 | 0.75 | MEN1 (0.55) | NR1I3CYP1A2CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL16404333 | 0.75 | METAP1 (0.61) | CYP1A2CYP3A4CYP2C9MAPTATM | |
| SCHEMBL384799 | 0.75 | METAP1 (0.61) | ATMLMNAABCG2MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101068794-B | Quinazolines useful as modulators of ion channels | VERTEX PHARMA | 2012-12-19 | — | — | CN | disclosed |
| CN-101068794-A | Quinazolines useful as modulators of ion channels | VERTEX PHARMA (US) | 2007-11-07 | — | — | CN | disclosed |