Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 6/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSL | P07711 | 4/20 | 0.41 |
| ▸ | CTSB | P07858 | 4/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8537409 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CCR6PAX8MAPK1L3MBTL1 | |
| SCHEMBL6183149 | 0.81 | CTSS (0.44) | ALDH1A1CTSKCTSSCTSLCTSB | |
| SCHEMBL6183588 | 0.76 | CTSS (0.43) | ALDH1A1CTSKCTSSCTSLCTSB | |
| SCHEMBL6183195 | 0.76 | CTSS (0.42) | ALDH1A1CTSKCTSSCTSLCTSB | |
| SCHEMBL5571588 | 0.76 | ALDH1A1 (0.32) | ALDH1A1L3MBTL1MAPT | |
| SCHEMBL13687217 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CTSKCTSSCTSLCTSB | |
| SCHEMBL5733968 | 0.74 | ALDH1A1 (0.55) | ALDH1A1CTSKCTSSCTSLCTSB | |
| SCHEMBL7364898 | 0.74 | CTSK (0.47) | ALDH1A1OPRM1OPRD1OPRK1CTSK | |
| SCHEMBL7364892 | 0.74 | CTSK (0.47) | ALDH1A1OPRM1OPRD1OPRK1CTSK | |
| SCHEMBL6183141 | 0.74 | ALOX5 (0.43) | ALDH1A1CTSKCTSSCTSLCTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002539201-A | — | — | 2002-11-19 | — | — | JP | claimed |
| EP-1161422-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | claimed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | claimed |