Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | BAD | Q92934 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24414772 | 0.74 | CHRNB4 (0.55) | NPC1RAB9AMAPK14ALDH1A1PKM | |
| SCHEMBL8151174 | 0.72 | CHRNB4 (0.64) | NPC1RAB9AMAPK14ALDH1A1PKM | |
| SCHEMBL12518917 | 0.72 | POLB (0.44) | NPC1RAB9APOLBAPAF1GRK2 | |
| SCHEMBL10337645 | 0.71 | BCL2L1 (0.55) | NPC1RAB9APOLBMAPTMAOB | |
| SCHEMBL12562793 | 0.71 | BCL2L1 (0.55) | NPC1RAB9APOLBMAPTMAOB | |
| SCHEMBL197346 | 0.71 | BCL2L1 (0.55) | NPC1RAB9APOLBMAPTMAOB | |
| SCHEMBL10300262 | 0.71 | BCL2L1 (0.55) | NPC1RAB9APOLBMAPTMAOB | |
| SCHEMBL4151921 | 0.70 | MAPK10 (0.41) | NPC1RAB9APOLBAPAF1GRK2 | |
| SCHEMBL24363981 | 0.69 | HTR2A (0.42) | MAPK14 | |
| SCHEMBL11531256 | 0.67 | MAPK14 (0.37) | NPC1RAB9APOLBAPAF1GRK2 |
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-105130915-B | A kind of method for preparing amino substituted triazole derivative | 浙江大学 | 2017-07-21 | — | — | CN | disclosed |
| EP-2753606-B1 | PYRIMIDINES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA LP (US) | 2017-07-05 | — | — | EP | disclosed |