Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.43 |
| ▸ | TSHR | P16473 | 9/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 7/20 | 0.43 |
| ▸ | USP2 | O75604 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084201 | 0.89 | TSHR (0.44) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084843 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084261 | 0.81 | PDE5A (0.47) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084256 | 0.79 | MEN1 (0.52) | CYP1A2CYP2C19LMNAHPGDCYP2C9 | |
| SCHEMBL1084574 | 0.79 | MAPT (0.50) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084073 | 0.78 | GBA1 (0.50) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084152 | 0.77 | TSHR (0.53) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084628 | 0.77 | MAPT (0.46) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084745 | 0.76 | CHEK2 (0.40) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL1084139 | 0.76 | LMNA (0.47) | 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 |