Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTH | P32929 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5747556 | 1.00 | CTH (0.43) | CTHKDM4EL3MBTL1PIM1ALOX15 | |
| SCHEMBL3851603 | 0.90 | — | — | |
| SCHEMBL3851605 | 0.90 | — | — | |
| SCHEMBL474155 | 0.84 | — | — | |
| Bromide SCHEMBL8880462 | 0.82 | — | — | |
| Benzene SCHEMBL27259219 | 0.80 | KDM4E (0.40) | CTHKDM4EPIM1ALDH1A1TSHR | |
| Tert-Butylamine SCHEMBL27906907 | 0.75 | ALDH1A1 (0.38) | CTHKDM4EPIM1ALDH1A1TSHR | |
| SCHEMBL5747560 | 0.67 | HTR2B (0.51) | KDM4EL3MBTL1SLC2A1ALDH1A1NPC1 | |
| SCHEMBL14288701 | 0.65 | CTH (0.33) | CTHPIM1 | |
| SCHEMBL10866549 | 0.62 | — | — |
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-1678169-A1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Astrazeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040159-A1 | 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2005-05-06 | — | — | WO | disclosed |