Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 17/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.58 |
| ▸ | KIT | P10721 | 5/20 | 0.58 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.58 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.58 |
| ▸ | PLK4 | O00444 | 1/20 | 0.58 |
| ▸ | AURKA | O14965 | 1/20 | 0.58 |
| ▸ | GAK | O14976 | 1/20 | 0.58 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.58 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.58 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.58 |
| ▸ | JAK2 | O60674 | 1/20 | 0.58 |
| ▸ | STK16 | O75716 | 1/20 | 0.58 |
| ▸ | STK10 | O94804 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5224815 | 0.99 | KDR (0.57) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4980840 | 0.92 | KDR (0.60) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4976712 | 0.92 | KDR (0.62) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4976731 | 0.92 | KDR (0.58) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4980036 | 0.91 | KDR (0.59) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4976691 | 0.91 | KDR (0.61) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4980446 | 0.91 | KDR (0.57) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978993 | 0.90 | KDR (0.70) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4981636 | 0.89 | KDR (0.69) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978068 | 0.89 | KDR (0.62) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | claimed |
| US-7338959-B2 | Diamino-pyrimidines and their use as angiogenesis inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| US-7338959-B2 | Diamino-pyrimidines and their use as angiogenesis inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| EP-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |