Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10270568 | 0.83 | OPRL1 (0.42) | OPRL1OPRM1ROCK2ROCK1 | |
| SCHEMBL15199109 | 0.83 | ALDH1A1 (0.34) | ALDH1A1OPRL1MEN1KMT2AL3MBTL1 | |
| SCHEMBL18213840 | 0.82 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2MMP2 | |
| SCHEMBL23903956 | 0.80 | OPRL1 (0.34) | OPRL1OPRM1ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL13990339 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2MMP2 | |
| SCHEMBL8070148 | 0.76 | OPRL1 (0.31) | OPRL1ROCK2ROCK1 | |
| SCHEMBL14652117 | 0.73 | KDM5A (0.38) | OPRL1L3MBTL1OPRM1ROCK2ROCK1 | |
| SCHEMBL13990338 | 0.71 | ALDH1A1 (0.38) | ALDH1A1CA12CA1CA2MMP2 | |
| SCHEMBL14041686 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA2MMP2 | |
| SCHEMBL25444136 | 0.69 | KDM5A (0.36) | ALDH1A1MME |
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-2012018668-A1 | BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE | AMGEN INC. (US) | 2012-02-09 | — | — | WO | disclosed |