Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 8/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | RAD52 | P43351 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4090399 | 0.90 | ABCB1 (0.57) | MEN1KMT2AHRH4MAPTALDH1A1 | |
| SCHEMBL1084515 | 0.84 | MAPT (0.67) | MEN1KMT2AADORA1SMAD3HRH4 | |
| SCHEMBL1084053 | 0.82 | MEN1 (1.00) | MEN1KMT2AADORA1SMAD3HRH4 | |
| SCHEMBL31612794 | 0.82 | MEN1 (1.00) | MEN1KMT2AADORA1SMAD3HRH4 | |
| SCHEMBL1084216 | 0.81 | MEN1 (0.69) | MEN1KMT2AADORA1SMAD3HRH4 | |
| SCHEMBL4091896 | 0.79 | ABCB1 (0.73) | MEN1KMT2ASMAD3MAPTTSHR | |
| SCHEMBL1084885 | 0.79 | MEN1 (0.68) | MEN1KMT2AADORA1SMAD3HRH4 | |
| SCHEMBL9404544 | 0.79 | HRH4 (0.53) | KMT2AHRH4ALDH1A1 | |
| SCHEMBL1084034 | 0.78 | MEN1 (0.74) | MEN1KMT2AADORA1SMAD3HRH4 | |
| SCHEMBL1084422 | 0.78 | MEN1 (0.74) | MEN1KMT2AADORA1SMAD3HRH4 |
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 |