Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.35 |
| ▸ | FAP | Q12884 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 4/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSE | P14091 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5696941 | 0.81 | PPARG (0.43) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL6048166 | 0.71 | CTSK (0.38) | DPP4CTSSCTSKCTSDCTSL | |
| SCHEMBL5519985 | 0.71 | STS (0.44) | THRB | |
| SCHEMBL31758115 | 0.69 | ALDH1A1 (0.45) | NPC1MAPTRAB9AALDH1A1SYK | |
| SCHEMBL29611056 | 0.67 | SMN1; SMN2 (0.61) | NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL4678395 | 0.67 | SMN1; SMN2 (0.61) | NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL5522238 | 0.67 | CTSS (0.60) | CTSSCTSKCTSLCTSB | |
| SCHEMBL30992257 | 0.66 | SMN1; SMN2 (0.59) | NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL5606156 | 0.66 | CTSK (0.38) | DPP4CTSSCTSKCTSLCTSB | |
| SCHEMBL24872785 | 0.65 | ALDH1A1 (0.42) | NPC1RAB9AALDH1A1SYKCYP1A2 |
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-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028429-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |