Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL9306994 | 0.88 | BACE1 (0.44) | NPC1RAB9AKDM4EMAPTGFER | |
| SCHEMBL9305004 | 0.81 | NPC1 (0.49) | NPC1RAB9AKDM4EMAPTGFER | |
| SCHEMBL24549494 | 0.76 | NPC1 (0.43) | NPC1RAB9AKDM4EMAPTGFER | |
| SCHEMBL28822617 | 0.70 | ALDH1A1 (0.37) | NPC1RAB9AKDM4EMAPTGFER | |
| SCHEMBL29822916 | 0.70 | ALDH1A1 (0.37) | NPC1RAB9AKDM4EMAPTGFER | |
| SCHEMBL9305279 | 0.69 | BACE1 (0.48) | NPC1RAB9ABACE1HRH3PSMB5 | |
| SCHEMBL9305009 | 0.69 | BACE1 (0.44) | NPC1RAB9AKDM4EMAPTGFER | |
| SCHEMBL9304894 | 0.69 | BACE1 (0.48) | NPC1RAB9AGFERBACE1HRH3 | |
| SCHEMBL8080016 | 0.68 | MAPT (0.57) | KDM4EMAPTBACE1EPHX2CYP3A4 | |
| SCHEMBL16307581 | 0.68 | TLR9 (0.51) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |