Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.68 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | HPGD | P15428 | 4/20 | 0.63 |
| ▸ | GAA | P10253 | 4/20 | 0.63 |
| ▸ | GLA | P06280 | 3/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | HK1 | P19367 | 1/20 | 0.59 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5320344 | 0.84 | KDM4E (0.65) | KDM4EMAPTNPSR1MAPK1ALDH1A1 | |
| SCHEMBL8890616 | 0.83 | HRH4 (0.72) | HTR3AHRH4KDM4EALDH1A1HPGD | |
| SCHEMBL30513776 | 0.81 | HRH4 (1.00) | HTR3AHRH4KDM4EALDH1A1HPGD | |
| SCHEMBL11741104 | 0.81 | HRH4 (1.00) | HTR3AHRH4KDM4EALDH1A1HPGD | |
| SCHEMBL11201872 | 0.81 | GAA (0.53) | HTR3AHRH4KDM4EMAPTNPSR1 | |
| SCHEMBL30547000 | 0.81 | KDM4E (0.94) | HTR3AHRH4KDM4EMAPTMAPK1 | |
| SCHEMBL742359 | 0.81 | KDM4E (0.94) | HTR3AHRH4KDM4EMAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL7834531 | 0.80 | NSD2 (0.65) | KDM4EGAAGLA | |
| Hydrochloric Acid SCHEMBL7834533 | 0.80 | NSD2 (0.65) | KDM4EGAAGLA | |
| SCHEMBL8890608 | 0.80 | HTR3A (0.63) | HTR3AHRH4KDM4EALDH1A1HPGD |
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 |