Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL9306980 | 0.88 | NPC1 (0.49) | BACE1NPC1RAB9AHTR1DMAPT | |
| SCHEMBL9305009 | 0.81 | BACE1 (0.44) | BACE1NPC1RAB9AHTR1DMAPT | |
| SCHEMBL14486917 | 0.79 | BACE1 (0.49) | BACE1NPC1RAB9AHTR1DMAPT | |
| SCHEMBL15156916 | 0.76 | KCNH2 (0.46) | BACE1NPC1RAB9AHTR1DMAPT | |
| SCHEMBL21034172 | 0.75 | IDO1 (0.57) | BACE1HTR1DTLR9TLR8TLR7 | |
| SCHEMBL13122022 | 0.72 | CHRNB2 (0.46) | NPC1RAB9AMAPTKDM4EHSP90AA1 | |
| SCHEMBL10948259 | 0.71 | BACE1 (0.43) | BACE1NPC1RAB9AHTR1DMAPT | |
| SCHEMBL23056650 | 0.71 | HTR1D (0.53) | BACE1HTR1DMAPTEPHX2ACMSD | |
| SCHEMBL30744737 | 0.71 | HTR1D (0.53) | BACE1HTR1DMAPTEPHX2ACMSD | |
| SCHEMBL29822961 | 0.70 | MEN1 (0.32) | NPC1RAB9AMAPTKDM4EKMT2A |
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 |