Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.34 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21682467 | 0.78 | NPC1 (0.40) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL23422080 | 0.73 | F7 (0.46) | NPC1RAB9AKMT2AHTTALDH1A1 | |
| SCHEMBL15477869 | 0.72 | KMT2A (0.48) | NPC1RAB9AKMT2AMEN1PKM | |
| Pyrimidine SCHEMBL25385683 | 0.71 | KMT2A (0.44) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL9995369 | 0.69 | MCL1 (0.38) | NPC1RAB9AKMT2APKMALDH1A1 | |
| SCHEMBL9995368 | 0.69 | MCL1 (0.38) | NPC1RAB9AKMT2APKMALDH1A1 | |
| SCHEMBL15175637 | 0.67 | ALDH1A1 (0.39) | KMT2AHTTALDH1A1CYP2C19HPGD | |
| SCHEMBL8390998 | 0.67 | HSP90AA1 (0.45) | NPC1RAB9AKMT2AMEN1CYP3A4 | |
| SCHEMBL20995693 | 0.66 | AKR1C1 (0.43) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL3670626 | 0.66 | CYP2C19 (0.50) | KMT2AMEN1PKMHTTALDH1A1 |
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-2585470-A2 | NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY | Hanmi Science Co., Ltd. (KR) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011162515-A2 | NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY | HANMI HOLDINGS CO. , LTD. (KR) | 2011-12-29 | — | — | WO | disclosed |