Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17518721 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRACHETDP1CA7 | |
| SCHEMBL16782403 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TSHRACHETDP1MAPT | |
| SCHEMBL21792294 | 0.77 | TYR (0.38) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20852278 | 0.77 | TAAR1 (0.39) | ALDH1A1TSHRTDP1CA2MAOA | |
| SCHEMBL24312962 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TSHRACHETDP1CA7 | |
| SCHEMBL22359687 | 0.75 | ADRB2 (0.42) | MAOAMAOB | |
| SCHEMBL3813443 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETDP1CA7 | |
| SCHEMBL22359864 | 0.74 | HRH3 (0.41) | CA7CA1CA2CA9MAPT | |
| SCHEMBL23254402 | 0.74 | — | — | |
| SCHEMBL22359670 | 0.74 | MAPT (0.43) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 |
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-2426125-A1 | 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors | Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |