Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9995369 | 1.00 | MCL1 (0.38) | MCL1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10436436 | 0.74 | MCL1 (0.47) | MCL1KMT2AKDM4ENPC1RAB9A | |
| SCHEMBL8390998 | 0.73 | HSP90AA1 (0.45) | KMT2ACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL23422077 | 0.73 | KMT2A (0.43) | KMT2ACYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL3657194 | 0.71 | HSP90AA1 (0.41) | KMT2ANPC1RAB9ACYP19A1PKM | |
| SCHEMBL15477868 | 0.70 | KMT2A (0.43) | MCL1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15477866 | 0.70 | KMT2A (0.43) | MCL1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9995371 | 0.69 | NPC1 (0.40) | KMT2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7672337 | 0.69 | ABCG2 (0.51) | MCL1KMT2AALDH1A1AKR1C3 | |
| Oxamate SCHEMBL10620201 | 0.68 | MEN1 (0.50) | MCL1KMT2ACYP1A2CYP2D6CYP2C9 |
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 |