Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22358906 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL31549369 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TSHRLMNAMAPTKMT2A | |
| SCHEMBL24800393 | 0.81 | ALDH1A1 (0.70) | ALDH1A1TSHRLMNAMAPTKMT2A | |
| SCHEMBL30432418 | 0.81 | ALDH1A1 (0.70) | ALDH1A1TSHRLMNAMAPTKMT2A | |
| SCHEMBL4601154 | 0.79 | — | — | |
| SCHEMBL310767 | 0.77 | — | — | |
| SCHEMBL1392323 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TSHRLMNAMAPTKMT2A | |
| SCHEMBL29154813 | 0.76 | ALOX15 (0.44) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL31549344 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TSHRHTR2CMAPTKMT2A | |
| SCHEMBL27441223 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTKMT2ADGKA |
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-2008156831-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |