Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.53 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084775 | 0.89 | MEN1 (0.55) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL1084191 | 0.88 | KMT2A (0.55) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL13769477 | 0.86 | MEN1 (0.76) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL1084371 | 0.84 | SMAD3 (0.56) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL13433803 | 0.84 | SMAD3 (0.53) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL13433804 | 0.84 | SMAD3 (0.53) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL1084237 | 0.84 | CHEK2 (0.52) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL1084884 | 0.84 | SMAD3 (0.55) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL1623723 | 0.84 | SMAD3 (0.55) | MEN1KMT2ACHEK2SMAD3ALDH1A1 | |
| SCHEMBL1623958 | 0.84 | SMAD3 (0.55) | MEN1KMT2ACHEK2SMAD3ALDH1A1 |
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 6 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-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 |