Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.30 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
| ▸ | CTSV | O60911 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSH | P09668 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16120621 | 1.00 | KDM4E (0.39) | KDM4EPGK1ALDH1A1SYKHTT | |
| SCHEMBL16094324 | 0.89 | ALDH1A1 (0.38) | KDM4EALDH1A1SYKHTTCYP1A2 | |
| SCHEMBL16120614 | 0.89 | ALDH1A1 (0.38) | KDM4EALDH1A1SYKHTTCYP1A2 | |
| SCHEMBL16100026 | 0.85 | ALDH1A1 (0.35) | KDM4EALDH1A1HTTCYP1A2CYP3A4 | |
| SCHEMBL16100027 | 0.85 | ALDH1A1 (0.35) | KDM4EALDH1A1HTTCYP1A2CYP3A4 | |
| SCHEMBL4712741 | 0.84 | KDM4E (0.39) | KDM4EHTT | |
| SCHEMBL16120492 | 0.84 | KDM4E (0.39) | KDM4EHTT | |
| SCHEMBL16094336 | 0.83 | PPARG (0.34) | KDM4ELRRK2CYP3A4CYP2D6 | |
| SCHEMBL16094337 | 0.83 | PPARG (0.34) | KDM4ELRRK2CYP3A4CYP2D6 | |
| SCHEMBL16094328 | 0.81 | KDM4E (0.36) | KDM4EMAP3K7TAB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3733184-B1 | PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | ICAHN SCHOOL MED MOUNT SINAI (US) | 2023-08-30 | — | — | EP | claimed |
| EP-2968331-B1 | PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS | ICAHN SCHOOL MED MOUNT SINAI (US) | 2020-07-01 | — | — | EP | claimed |
| EP-3733184-A1 | PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | Icahn School of Medicine at Mount Sinai (US) | 2020-11-04 | — | — | EP | disclosed |