Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.81 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.81 |
| ▸ | TSHR | P16473 | 10/20 | 0.81 |
| ▸ | LMNA | P02545 | 8/20 | 0.81 |
| ▸ | USP2 | O75604 | 7/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.81 |
| ▸ | TP53 | P04637 | 2/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL938193 | 0.90 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL939163 | 0.86 | CYP2D6 (0.74) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL1084346 | 0.86 | LMNA (0.59) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL1083943 | 0.85 | CYP2D6 (0.72) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL938570 | 0.85 | CYP2D6 (0.72) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL1084479 | 0.84 | CYP2D6 (0.63) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL2327438 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL1084218 | 0.82 | CYP2D6 (0.60) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL1083778 | 0.82 | CYP2D6 (0.63) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL1084265 | 0.81 | CYP2D6 (0.61) | CYP1A2CYP2D6CYP3A4TSHRLMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| 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 |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |