Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | MMP8 | P22894 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.51 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL23606295 | 0.91 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL24038243 | 0.91 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL25544834 | 0.91 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL24037805 | 0.91 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL25543236 | 0.91 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL24038149 | 0.91 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL25543235 | 0.90 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL25544165 | 0.90 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL25544766 | 0.90 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL15981115 | 0.89 | NPC1 (0.51) | NPC1RAB9AMEN1KMT2AATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109180590-A | A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free | 福建医科大学 | 2019-01-11 | — | — | CN | disclosed |
| WO-2013141029-A1 | TONER, DEVELOPER, AND COLOR TONER SET | RICOH COMPANY, LTD. (JP) | 2013-09-26 | — | — | WO | disclosed |
| CN-101255172-A | 1,3,5-triazine substituted tetraphenyl silane compound and preparation method thereof | HUAIHAI INST TECHNOLOGY (CN) | 2008-09-03 | — | — | CN | disclosed |
| EP-0479161-A1 | Synthesis of heterocyclic compounds | EASTMAN CHEMICAL COMPANY (US) | 1992-04-08 | — | — | EP | disclosed |