Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1155880 | 0.91 | OPRL1 (0.40) | P2RX7HDAC1HDAC6OPRL1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29472088 | 0.84 | P2RX7 (0.44) | P2RX7OPRL1KCNH2 | |
| SCHEMBL2597816 | 0.82 | HDAC1 (0.46) | P2RX7HDAC1HDAC6 | |
| SCHEMBL13269729 | 0.80 | ELANE (0.36) | ELANEP2RX7TRPM8HDAC1HDAC6 | |
| SCHEMBL11983384 | 0.77 | FNTA (0.40) | P2RX7HDAC1HDAC6OPRL1KCNH2 | |
| SCHEMBL1198594 | 0.74 | HDAC1 (0.39) | P2RX7HDAC1HDAC6TRPV1IDH1 | |
| SCHEMBL29560239 | 0.74 | HDAC1 (0.39) | P2RX7HDAC1HDAC6TRPV1IDH1 | |
| SCHEMBL27674615 | 0.72 | KDM4E (0.40) | P2RX7OPRL1L3MBTL1IDH1 | |
| SCHEMBL9770662 | 0.70 | MCL1 (0.49) | P2RX7HDAC1HDAC6L3MBTL1 | |
| SCHEMBL2877588 | 0.70 | OPRL1 (0.49) | P2RX7OPRL1KCNH2TRPV1 |
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-2274296-B1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |