Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | TTK | P33981 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803340 | 0.94 | ADRB1 (0.54) | OPRM1OPRD1ADRB1KMT2AKDM4E | |
| Trifluoroacetic Acid SCHEMBL29803292 | 0.86 | BACE1 (0.46) | ADRB1KMT2AKDM4EALDH1A1GLA | |
| SCHEMBL24671205 | 0.86 | NPC1 (0.53) | OPRM1OPRD1NPC1RAB9AHTT | |
| SCHEMBL24670161 | 0.86 | NPC1 (0.53) | OPRM1OPRD1NPC1RAB9AHTT | |
| SCHEMBL24670708 | 0.84 | MEN1 (0.55) | ADRB1NPC1RAB9AHDAC3HDAC8 | |
| SCHEMBL29803710 | 0.79 | MEN1 (0.50) | ADRB1NPC1RAB9AHTTHDAC3 | |
| SCHEMBL29802893 | 0.78 | MAPT (0.46) | OPRM1OPRD1HTTHDAC3HDAC8 | |
| SCHEMBL13033435 | 0.77 | L3MBTL1 (0.64) | ADRB1NPC1RAB9AKMT2AKDM4E | |
| Trifluoroacetic Acid SCHEMBL29803818 | 0.77 | SLC2A1 (0.52) | ADRB1NPC1RAB9AHDAC3HDAC8 | |
| SCHEMBL29803630 | 0.77 | ALDH1A1 (0.54) | ADRB1NPC1RAB9AHTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |