Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTSR1 | P30989 | 10/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | RAD52 | P43351 | 1/20 | 0.53 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14406118 | 0.90 | SMAD3 (0.58) | NTSR1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL14406400 | 0.89 | NTSR1 (0.61) | NTSR1CYP1A2CYP3A4TSHRLMNA | |
| SCHEMBL1083906 | 0.89 | MEN1 (0.69) | NTSR1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL1084606 | 0.88 | SMAD3 (0.56) | NTSR1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL1084614 | 0.84 | ABCG2 (0.59) | NTSR1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL1084569 | 0.84 | TP53 (0.62) | NTSR1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL12721527 | 0.84 | SMAD3 (0.73) | TSHRMEN1KMT2ALMNAMAPT | |
| SCHEMBL1084367 | 0.83 | NTSR1 (0.57) | NTSR1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL1084221 | 0.83 | SMAD3 (0.58) | CYP1A2CYP3A4TSHRMEN1KMT2A | |
| SCHEMBL1083988 | 0.83 | CHEK2 (0.55) | NTSR1CYP1A2CYP3A4TSHRMEN1 |
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-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 |