Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 4/20 | 0.45 |
| ▸ | MAOA | P21397 | 8/20 | 0.43 |
| ▸ | MAOB | P27338 | 8/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9114249 | 0.94 | TGM2 (0.45) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL1767901 | 0.91 | TGM2 (0.50) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL5330038 | 0.84 | TGM2 (0.53) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL1767975 | 0.82 | TGM2 (0.42) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL4444879 | 0.79 | TGM2 (0.55) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL1767899 | 0.76 | TGM2 (0.44) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL3742475 | 0.74 | MAOB (0.70) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL16111115 | 0.74 | CES1 (0.53) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL17274920 | 0.73 | ALDH1A1 (0.53) | TGM2ALDH1A1CES1MAOAMAOB | |
| SCHEMBL19674436 | 0.73 | TBXAS1 (0.54) | ALDH1A1MAOAMAOBPDE3BPDE3A |
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-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |