Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 3/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.46 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | PNP | P00491 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8869652 | 0.89 | MEN1 (0.56) | CTSAMEN1KMT2ACACNA2D1CACNA1B | |
| SCHEMBL9155517 | 0.84 | CACNA2D1 (0.55) | FFAR1MEN1KMT2ACACNA2D1CACNA1B | |
| SCHEMBL29883209 | 0.84 | CACNA2D1 (0.55) | FFAR1MEN1KMT2ACACNA2D1CACNA1B | |
| SCHEMBL15199283 | 0.82 | PGR (0.47) | CTSAFFAR1KEAP1CACNA2D1CACNA1B | |
| SCHEMBL10908214 | 0.82 | FFAR1 (0.54) | FFAR1KMT2ACACNA2D1CACNA1BCACNB1 | |
| SCHEMBL29157158 | 0.79 | PGR (0.51) | CTSAMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL30801464 | 0.79 | PGR (0.51) | CTSAMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL9152199 | 0.79 | CTSA (0.52) | CTSAFFAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL20535150 | 0.78 | ALDH1A1 (0.58) | CTSAFFAR1MEN1KMT2ACACNA2D1 | |
| SCHEMBL18228863 | 0.77 | TACR1 (0.58) | CTSAFFAR1MEN1KMT2AKEAP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646027-B1 | NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN INC (US) | 2014-10-15 | — | — | EP | disclosed |
| US-8492410-B2 | Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2013-07-23 | — | — | US | disclosed |
| US-8399492-B2 | Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2013-03-19 | — | — | US | disclosed |