Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 12/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 12/20 | 0.45 |
| ▸ | S1PR2 | O95136 | 10/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 7/20 | 0.45 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | MMP25 | Q9NPA2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL2857126 | 0.84 | ESR1 (0.54) | S1PR1S1PR3S1PR2S1PR4LPAR2 | |
| SCHEMBL2858924 | 0.82 | RARB (0.61) | S1PR1S1PR3S1PR2S1PR4HPGD | |
| SCHEMBL1810044 | 0.81 | HRH4 (0.60) | S1PR1S1PR3S1PR2S1PR4LPAR2 | |
| SCHEMBL7504954 | 0.81 | HSD17B10 (0.53) | HPGDPLK1ALDH1A1HSD17B10FFAR1 | |
| SCHEMBL9328426 | 0.81 | HSD17B10 (0.53) | HPGDPLK1ALDH1A1HSD17B10FFAR1 | |
| SCHEMBL4965818 | 0.81 | S1PR1 (0.43) | S1PR1S1PR3S1PR2S1PR4ALDH1A1 | |
| SCHEMBL2853542 | 0.80 | CYP4A11 (0.55) | S1PR1S1PR3S1PR2S1PR4HPGD | |
| SCHEMBL9508729 | 0.79 | HSD17B10 (0.52) | HPGDPLK1MMP1MMP2MMP3 | |
| SCHEMBL346425 | 0.79 | ALDH1A1 (0.57) | HPGDPLK1ALDH1A1HSD17B10 | |
| SCHEMBL12626714 | 0.79 | SIGMAR1 (0.58) | S1PR1S1PR3S1PR2S1PR4HRH4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1654247-B1 | ALKYNYL ARYL CARBOXAMIDES | MERCK SERONO SA (CH) | 2010-01-20 | — | — | EP | disclosed |
| EP-1756081-A1 | 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS | Applied Research Systems ARS Holding N.V. (AN) | 2007-02-28 | — | — | EP | disclosed |
| EP-1654247-A1 | ALKYNYL ARYL CARBOXAMIDES | Applied Research Systems ARS Holding N.V. (AN) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005097773-A1 | 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2005-10-20 | — | — | WO | disclosed |
| WO-2005012280-A1 | ALKYNYL ARYL CARBOXAMIDES | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2005-02-10 | — | — | WO | disclosed |