Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CTRC | Q99895 | 1/20 | 0.34 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.34 |
| ▸ | GSR | P00390 | 1/20 | 0.34 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL194345 | 0.85 | — | — | |
| SCHEMBL5014126 | 0.69 | RAB9A (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2CTRC | |
| SCHEMBL637900 | 0.69 | RAB9A (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL8761111 | 0.68 | — | — | |
| SCHEMBL10756706 | 0.67 | KMT2A (0.38) | ALDH1A1RAB9AMAPK1KDM4EMEN1 | |
| Biphenyl SCHEMBL29131114 | 0.65 | AKT1 (0.39) | P2RX7ALDH1A1NPC1RAB9ANTSR1 | |
| SCHEMBL2130891 | 0.65 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2DAGLA | |
| SCHEMBL22684051 | 0.64 | NPC1 (0.48) | ALDH1A1NPC1RAB9AMAPK1KDM4E | |
| SCHEMBL1585273 | 0.64 | NPC1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| Biphenyl SCHEMBL8715761 | 0.63 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2CTRCMAPK1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109715615-A | Biaryl methyl heterocycles | 蒙特利尔大学 | 2019-05-03 | — | — | CN | disclosed |