Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | MMP16 | P51512 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27948462 | 0.76 | PTGS2 (0.34) | PTGS2PTGS1NPC1RAB9AALDH1A1 | |
| SCHEMBL4619747 | 0.74 | HDAC4 (0.33) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL9006818 | 0.73 | THRB (0.35) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL28424483 | 0.72 | PTGS2 (0.32) | PTGS2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL27734469 | 0.72 | NPC1 (0.32) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL29007685 | 0.72 | HDAC4 (0.32) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL28926102 | 0.72 | HDAC4 (0.32) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL5581649 | 0.72 | SLC6A3 (0.35) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL5583449 | 0.71 | ALDH1A1 (0.33) | NPC1RAB9AMMP2ALDH1A1LMNA | |
| SCHEMBL27637698 | 0.71 | HDAC4 (0.31) | NPC1RAB9AALDH1A1LMNA |
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-1960367-A2 | SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007067836-A2 | SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-06-14 | — | — | WO | disclosed |