Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 3/20 | 0.50 |
| ▸ | CASP3 | P42574 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TXN | P10599 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.30 |
| ▸ | BAD | Q92934 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL5262538 | 0.77 | CYP2A6 (0.41) | CASP3SMN1; SMN2TSHRHSD17B10KDM4E | |
| SCHEMBL10950612 | 0.76 | MAPK14 (0.79) | MAPK14NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL23567063 | 0.74 | MAPK14 (0.50) | MAPK14NPC1RAB9ANOTUMKDM4E | |
| SCHEMBL30390213 | 0.72 | NPC1 (0.37) | MAPK14NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL6630828 | 0.71 | MAPK14 (0.38) | MAPK14CASP3NPC1RAB9ATP53 | |
| SCHEMBL21737541 | 0.66 | — | — | |
| SCHEMBL14562423 | 0.64 | RAB9A (0.45) | MAPK14NPC1RAB9ATSHRKDM4E | |
| SCHEMBL10337645 | 0.63 | BCL2L1 (0.55) | NPC1RAB9ASMN1; SMN2NOTUMBCL2L1 | |
| SCHEMBL12562793 | 0.63 | BCL2L1 (0.55) | NPC1RAB9ASMN1; SMN2NOTUMBCL2L1 | |
| SCHEMBL10300262 | 0.63 | BCL2L1 (0.55) | NPC1RAB9ASMN1; SMN2NOTUMBCL2L1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102464667-B | Five-membered heterocycle pyrimidine compounds, preparation method and application thereof | SHANGHAI INST MATERIA MEDICA | 2014-06-04 | — | — | CN | disclosed |
| CN-102464667-A | Five-membered heterocyclic pyrimidine compounds, preparation method and application thereof | SHANGHAI INST MATERIA MEDICA | 2012-05-23 | — | — | CN | disclosed |