Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.40 |
| ▸ | MMP3 | P08254 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | LIPC | P11150 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.37 |
| ▸ | TRPC7 | Q9HCX4 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9281151 | 0.89 | LIPC (0.39) | MMP13MMP3MMP9MMP2MMP8 | |
| SCHEMBL9280632 | 0.87 | LIPC (0.40) | MMP13MMP3MMP9MMP2MMP8 | |
| SCHEMBL1689452 | 0.87 | MMP13 (0.46) | MMP13MMP3MMP9MMP2MMP8 | |
| SCHEMBL14813406 | 0.87 | MMP13 (0.46) | MMP13MMP3MMP9MMP2MMP8 | |
| SCHEMBL9108738 | 0.79 | MMP13 (0.46) | MMP13MMP3MMP9MMP2MMP8 | |
| SCHEMBL9108746 | 0.79 | MMP13 (0.46) | MMP13MMP3MMP9MMP2MMP8 | |
| SCHEMBL9108211 | 0.75 | MMP13 (0.45) | MMP13LIPEGPR119EPHX2 | |
| SCHEMBL9108220 | 0.75 | MMP13 (0.45) | MMP13LIPEGPR119EPHX2 | |
| SCHEMBL9110045 | 0.74 | DPP4 (0.45) | MMP13GPR119EPHX2 | |
| SCHEMBL9110055 | 0.74 | DPP4 (0.45) | MMP13GPR119EPHX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2760826-A1 | CRYSTALLINE FORMS OF A 3-[2-METHANESULFONYL-1-(4-TRIFLUOROMETHYL-PHENOXY)ETHYL]PYRROLIDINE COMPOUND | Theravance, Inc. (US) | 2014-08-06 | — | — | EP | claimed |
| WO-2013049617-A1 | CRYSTALLINE FORMS OF A 3-[2-METHANESULFONYL-1-(4-TRIFLUOROMETHYL-PHENOXY)ETHYL]PYRROLIDINE COMPOUND | THERAVANCE, INC. (US) | 2013-04-04 | — | — | WO | claimed |