Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084995 | 0.91 | HIF1A (0.45) | DRD2HTR1AHTR2AHIF1AMAPT | |
| SCHEMBL1084992 | 0.88 | DRD2 (0.40) | DRD2HTR1AHTR2AHIF1AMAPT | |
| SCHEMBL937815 | 0.88 | KMT2A (0.43) | DRD2HTR1AHTR2AHIF1ACHEK2 | |
| SCHEMBL1084990 | 0.87 | DRD2 (0.38) | DRD2HTR1AHTR2AHIF1AMAPT | |
| SCHEMBL13157350 | 0.87 | DRD2 (0.41) | DRD2HTR1AHTR2AHIF1AMAPT | |
| SCHEMBL183870 | 0.83 | CHEK2 (0.46) | DRD2HTR1AHTR2AHIF1ACHEK2 | |
| SCHEMBL183869 | 0.83 | CHEK2 (0.46) | DRD2HTR1AHTR2AHIF1ACHEK2 | |
| SCHEMBL184057 | 0.83 | CHEK2 (0.46) | DRD2HTR1AHTR2AHIF1ACHEK2 | |
| SCHEMBL2606249 | 0.83 | PDE10A (0.39) | DRD2HTR1AHTR2AHIF1ACHEK2 | |
| SCHEMBL183832 | 0.83 | PDE10A (0.39) | DRD2HTR1AHTR2AHIF1ACHEK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |