Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.41 |
| ▸ | CTSS | P25774 | 4/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7420985 | 0.91 | ALDH1A1 (0.43) | SIGMAR1TMEM97ALDH1A1 | |
| SCHEMBL7420196 | 0.83 | CTSS (0.36) | CTSSCTSKNPC1CTSLCTSB | |
| SCHEMBL7420191 | 0.72 | SNCA (0.34) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7021621 | 0.72 | RXFP1 (0.34) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7021496 | 0.71 | CTSS (0.41) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7413191 | 0.70 | CTSS (0.37) | SIGMAR1TMEM97CTSSRAB9ACTSL | |
| SCHEMBL7420982 | 0.69 | CTSL (0.36) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL7023323 | 0.69 | CTSS (0.42) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7419141 | 0.69 | AGER (0.39) | SIGMAR1TMEM97 | |
| SCHEMBL6565858 | 0.69 | NR1H4 (0.36) | CTSSCTSKNPC1RAB9ACTSL |
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-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |