Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1856867 | 0.86 | TMEM97 (0.50) | NR1H4TMEM97SIGMAR1PTPN1SIRT3 | |
| SCHEMBL1852503 | 0.85 | SPHK2 (0.54) | SPHK2SPHK1TMEM97SIGMAR1SMPD1 | |
| SCHEMBL4331561 | 0.79 | TMEM97 (0.45) | NR1H4TMEM97SIGMAR1PTPN1SIRT3 | |
| SCHEMBL1854693 | 0.77 | HDAC3 (0.56) | SPHK2SPHK1TMEM97SIGMAR1L3MBTL1 | |
| SCHEMBL1239602 | 0.77 | NAAA (0.50) | TMEM97SIGMAR1L3MBTL1 | |
| Acetic Acid SCHEMBL27738439 | 0.76 | TMEM97 (0.48) | NR1H4TMEM97SIGMAR1PTPN1SIRT3 | |
| SCHEMBL5044086 | 0.75 | SPHK2 (0.57) | SPHK2SPHK1TMEM97SIGMAR1SMPD1 | |
| SCHEMBL5040035 | 0.75 | TMEM97 (0.48) | NR1H4TMEM97SIGMAR1PTPN1SIRT3 | |
| SCHEMBL1857734 | 0.73 | NAAA (0.61) | TMEM97SIGMAR1L3MBTL1 | |
| SCHEMBL1851125 | 0.73 | NAAA (0.64) | TMEM97SIGMAR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1470102-B1 | SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) | MERCK SERONO SA (CH) | 2011-05-25 | — | — | EP | claimed |