Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.63 |
| ▸ | TSHR | P16473 | 6/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | GLA | P06280 | 2/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ACP1 | P24666 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16404334 | 0.84 | CYP2D6 (0.87) | CYP2D6CYP3A4CYP1A2TSHRCYP2C19 | |
| SCHEMBL1083866 | 0.81 | CYP2D6 (0.81) | CYP2D6CYP3A4CYP1A2TSHRCYP2C19 | |
| SCHEMBL1083873 | 0.80 | CYP2D6 (0.60) | CYP2D6CYP3A4CYP1A2TSHRCYP2C19 | |
| SCHEMBL1084304 | 0.79 | CYP2D6 (0.59) | CYP2D6CYP3A4CYP1A2TSHRCYP2C19 | |
| SCHEMBL8642906 | 0.78 | ACP1 (0.58) | TSHRALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL1084351 | 0.77 | L3MBTL1 (0.63) | TSHRALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL1083856 | 0.77 | CYP2D6 (0.74) | CYP2D6CYP3A4CYP1A2TSHRCYP2C19 | |
| SCHEMBL5709928 | 0.76 | ABCG2 (0.68) | TSHRALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL3733021 | 0.76 | TLR9 (0.67) | CYP1A2TSHRCYP2C19ALDH1A1KDM4E | |
| SCHEMBL1083971 | 0.74 | CYP2D6 (0.70) | CYP2D6CYP3A4CYP1A2TSHRCYP2C19 |
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 7 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-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 |