Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CTSS | P25774 | 6/20 | 0.46 |
| ▸ | CTSK | P43235 | 4/20 | 0.46 |
| ▸ | CTSL | P07711 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7793398 | 0.92 | L3MBTL1 (0.46) | NPC1RAB9AALDH1A1CTSSCTSK | |
| SCHEMBL7798895 | 0.90 | NPC1 (0.50) | NPC1RAB9ACTSSCTSKCTSL | |
| SCHEMBL7798884 | 0.83 | ALDH1A1 (0.58) | NPC1RAB9AALDH1A1CTSSCTSK | |
| SCHEMBL7793442 | 0.80 | POLB (0.43) | ALDH1A1CTSSCTSKKMT2AMEN1 | |
| SCHEMBL7799269 | 0.80 | MTNR1A (0.45) | TAAR1 | |
| SCHEMBL7793458 | 0.77 | MMP1 (0.49) | ALDH1A1KMT2ASMN1; SMN2MAPTGAA | |
| SCHEMBL7802324 | 0.76 | ITGB3 (0.48) | — | |
| SCHEMBL7803207 | 0.73 | POLB (0.43) | KMT2A | |
| SCHEMBL7793421 | 0.73 | POLB (0.43) | KMT2A | |
| SCHEMBL2247378 | 0.72 | ADAMTS5 (0.59) | NPC1RAB9AALDH1A1CTSSCTSK |
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-1143960-A2 | CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES | Roche Diagnostics GmbH (DE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000027378-A2 | CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES | ROCHE DIAGNOSTICS GMBH (DE) | 2000-05-18 | — | — | WO | disclosed |