Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CERT1 | Q9Y5P4 | 3/20 | 0.37 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5317773 | 0.76 | ASAH1 (0.40) | TDP1ASAH1ALDH1A1ACER2NPSR1 | |
| Cyclohexane SCHEMBL28537169 | 0.74 | NPC1 (0.48) | LMNAALDH1A1GLSNPC1RAB9A | |
| SCHEMBL15880312 | 0.73 | ASAH1 (0.47) | LMNAASAH1ALDH1A1ACER2NPSR1 | |
| Cyclohexane SCHEMBL28549114 | 0.72 | TSHR (0.44) | LMNATDP1ALDH1A1GLSNPC1 | |
| SCHEMBL15880443 | 0.72 | ASAH1 (0.49) | TDP1ASAH1ALDH1A1ACER2CES2 | |
| SCHEMBL9500857 | 0.72 | ASAH1 (0.43) | LMNATDP1ASAH1ALDH1A1ACER2 | |
| SCHEMBL8103585 | 0.72 | GLS (0.39) | LMNAASAH1ALDH1A1ACER2GLS | |
| SCHEMBL9572555 | 0.71 | SLC7A5 (0.40) | LMNAALDH1A1NAAANPC1RAB9A | |
| SCHEMBL28061306 | 0.71 | MMP8 (0.50) | LMNATDP1ALDH1A1GLSNPC1 | |
| SCHEMBL28780408 | 0.70 | ALDH1A1 (0.40) | TDP1ASAH1ALDH1A1ACER2NAAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574858-B | Bicyclic heterocycles and their use as CCR2 receptor antagonists | HOFFMANN LA ROCHE | 2015-06-24 | — | — | CN | disclosed |