Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 6/20 | 0.63 |
| ▸ | CTSS | P25774 | 6/20 | 0.63 |
| ▸ | CTSB | P07858 | 3/20 | 0.63 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PREP | P48147 | 2/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1018180 | 0.93 | CTSL (0.57) | CTSLCTSSCTSBTACR1ALDH1A1 | |
| SCHEMBL30117973 | 0.88 | CTSL (0.53) | CTSLCTSSCTSBTACR1PREP | |
| SCHEMBL51465 | 0.84 | CTSL (0.49) | CTSLCTSSCTSBTACR1PREP | |
| SCHEMBL52449 | 0.84 | CTSS (0.52) | CTSLCTSSCTSBCTSK | |
| SCHEMBL2081142 | 0.84 | MEN1 (0.51) | CTSLCTSSCTSBALDH1A1PREP | |
| SCHEMBL62133 | 0.84 | CTSS (0.49) | CTSLCTSSCTSBTACR1ALDH1A1 | |
| SCHEMBL9942953 | 0.84 | CTSL (0.49) | CTSLCTSSCTSBTACR1PREP | |
| SCHEMBL87370 | 0.83 | CTSS (0.51) | CTSLCTSSCTSBALDH1A1PREP | |
| SCHEMBL52043 | 0.83 | CTSS (0.48) | CTSLCTSSCTSBALDH1A1PREP | |
| SCHEMBL52700 | 0.81 | CTSL (0.47) | CTSLCTSSCTSBALDH1A1PREP |
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-2649077-A1 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078834-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |