Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 2/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | COMT | P21964 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL45219 | 0.78 | — | — | |
| SCHEMBL218052 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27915759 | 0.71 | ALDH1A1 (0.50) | ALDH1A1LMNAKDM4EKMT2A | |
| SCHEMBL8621552 | 0.69 | HPGDS (0.36) | HPGDSCOMTPOLBPTPN11ALDH1A1 | |
| Methyl Alcohol SCHEMBL29141832 | 0.69 | ALDH1A1 (0.41) | POLBALDH1A1LMNAKDM4EKMT2A | |
| SCHEMBL9978274 | 0.65 | TSHR (0.43) | NOTUMPOLBKDM4EKMT2ANPC1 | |
| SCHEMBL30350717 | 0.65 | — | — | |
| SCHEMBL104786 | 0.65 | — | — | |
| Formaldehyde SCHEMBL27883709 | 0.64 | ALDH1A1 (0.41) | ALDH1A1LMNAKMT2A | |
| SCHEMBL341468 | 0.63 | PIK3C3 (0.44) | ALDH1A1PIK3C3KDM4EKMT2AMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088784-B2 | 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer | ASTRAZENECA AB (SE) | 2012-01-03 | — | — | US | disclosed |