Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | RPA1 | P27694 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL21311016 | 0.81 | CYP3A4 (0.39) | NPC1MAPKAPK2 | |
| SCHEMBL17981862 | 0.79 | MAPK14 (0.40) | NPC1MEN1RAB9AKMT2AATM | |
| SCHEMBL19101673 | 0.78 | KDM4C (0.65) | KDM5AKDM2BKDM4CKDM5B | |
| SCHEMBL27157236 | 0.76 | NPC1 (0.56) | NPC1MEN1RAB9AKMT2AATM | |
| SCHEMBL16533386 | 0.75 | MAOB (0.44) | NPC1RAB9ASCN9APPARGTRPV3 | |
| SCHEMBL30211258 | 0.72 | LOXL2 (0.41) | NPC1MEN1RAB9AKMT2AATM | |
| SCHEMBL21055972 | 0.72 | ASIC3 (0.66) | NPC1MEN1RAB9AKMT2AATM | |
| SCHEMBL31333922 | 0.72 | MEN1 (0.43) | NPC1MEN1RAB9AKMT2AATM | |
| SCHEMBL30437053 | 0.72 | ASIC3 (0.66) | NPC1MEN1RAB9AKMT2AATM | |
| SCHEMBL15578128 | 0.72 | MAPT (0.47) | NPC1MEN1RAB9AKMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747888-A1 | NITROGENATED HETEROCYCLIC AMIDE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES | Japan Tobacco Inc. (JP) | 2020-12-09 | — | — | EP | disclosed |