Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13157344 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL13769346 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL12721405 | 0.89 | SMAD3 (0.46) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL1622793 | 0.89 | SMAD3 (0.46) | KDM4EALDH1A1HPGDGAATDP1 | |
| Hydrochloric Acid SCHEMBL1623593 | 0.88 | SMAD3 (0.46) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL1622527 | 0.84 | CHEK2 (0.47) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL1623611 | 0.84 | CHEK2 (0.47) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL12723066 | 0.84 | CHEK2 (0.47) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL12723070 | 0.84 | CHEK2 (0.47) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL1623607 | 0.84 | CHEK2 (0.47) | KDM4EALDH1A1HPGDGAATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2006028904-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |