Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4620988 | 1.00 | AKR1C3 (0.47) | AKR1C3MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL4621513 | 1.00 | AKR1C3 (0.47) | AKR1C3MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL4622370 | 0.85 | AKR1C3 (0.48) | AKR1C3MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL4620658 | 0.85 | AKR1C3 (0.48) | AKR1C3MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL4620668 | 0.85 | AKR1C3 (0.48) | AKR1C3MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL4621745 | 0.85 | MMP13 (0.54) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL4621091 | 0.85 | MMP13 (0.54) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL4619148 | 0.82 | MMP12 (0.50) | — | |
| SCHEMBL4623983 | 0.82 | MMP12 (0.50) | — | |
| SCHEMBL4621584 | 0.82 | MMP12 (0.50) | — |
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-1884230-A1 | PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN | Shiseido Company, Limited (JP) | 2008-02-06 | — | — | EP | disclosed |