Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.56 |
| ▸ | MAPT | P10636 | 8/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | GBA1 | P04062 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.54 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 9/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084412 | 0.86 | TSHR (0.58) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL4090908 | 0.84 | CYP1A2 (0.71) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL1084280 | 0.84 | TDP1 (0.62) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL2592281 | 0.84 | PDE5A (0.69) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL1084248 | 0.84 | CHEK2 (0.54) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL1083940 | 0.84 | TSHR (0.50) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL1083829 | 0.83 | CYP2D6 (0.70) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL1084200 | 0.83 | CYP1A2 (0.78) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL8230598 | 0.83 | GBA1 (0.55) | PDE5ACYP1A2MAPTCYP3A4POLB | |
| SCHEMBL1084261 | 0.82 | PDE5A (0.47) | PDE5ACYP1A2MAPTCYP3A4POLB |
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 |