Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | WHR1 | P49842 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084170 | 0.82 | RECQL (0.56) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL1084346 | 0.82 | LMNA (0.59) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL1084213 | 0.81 | CYP1A2 (0.75) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL1083840 | 0.75 | CYP1A2 (0.62) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL1083830 | 0.75 | WHR1 (0.69) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL1084322 | 0.73 | CYP1A2 (0.52) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL7268508 | 0.73 | EGFR (0.52) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL939163 | 0.70 | CYP2D6 (0.74) | CYP1A2CYP2D6LMNACYP3A4TSHR | |
| SCHEMBL8940819 | 0.70 | HDAC4 (0.50) | LMNAALDH1A1POLBKMT2AHPGD | |
| SCHEMBL1083943 | 0.69 | CYP2D6 (0.72) | CYP1A2CYP2D6LMNACYP3A4TSHR |
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-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-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 |