Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL233928 | 0.86 | CCR6 (0.45) | CA1CA2ALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL7416290 | 0.86 | CA1 (0.55) | CA1CA2ALDH1A1L3MBTL1MAPK1 | |
| Hydrochloric Acid SCHEMBL2815500 | 0.85 | CCR6 (0.44) | CA1CA2ALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL11538899 | 0.83 | CA1 (0.52) | CA1CA2ALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL8016082 | 0.83 | CA1 (0.56) | CA1CA2ALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL8062024 | 0.81 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPK1LMNAMEN1 | |
| SCHEMBL27417109 | 0.81 | LTA4H (0.51) | CA1CA2ALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL698335 | 0.81 | LMNA (0.60) | CA1CA2L3MBTL1LMNASMN1; SMN2 | |
| SCHEMBL19416263 | 0.81 | LMNA (0.60) | CA1CA2L3MBTL1LMNASMN1; SMN2 | |
| SCHEMBL8016080 | 0.80 | ALDH1A1 (0.54) | CA1CA2ALDH1A1L3MBTL1MAPK1 |
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-2002085841-A2 | SUBSTITUTED CATECHOL DERIVATIVES DERIVED FROM POLYBASIC SECONDARY AMINO ACIDS, METHOD FOR PRODUCTION AND USE THEREOF | Grünenthal GmbH (DE) | 2002-10-31 | — | — | WO | disclosed |