Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.60 |
| ▸ | CTSS | P25774 | 2/20 | 0.60 |
| ▸ | CTSK | P43235 | 2/20 | 0.60 |
| ▸ | CTSB | P07858 | 1/20 | 0.60 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.37 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.37 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.37 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5591438 | 0.96 | CTSL (0.56) | CTSLCTSSCTSKCTSBCHRM4 | |
| SCHEMBL5591422 | 0.94 | CTSL (0.62) | CTSLCTSSCTSKCTSBCHRM4 | |
| SCHEMBL5591580 | 0.92 | CTSS (0.65) | CTSLCTSSCTSKCTSBPRKAA2 | |
| SCHEMBL5591383 | 0.91 | CTSL (0.63) | CTSLCTSSCTSKCTSBCHRM4 | |
| SCHEMBL8242517 | 0.91 | CTSL (0.49) | CTSLCTSSCTSKCTSBCHRM4 | |
| Trifluoroacetic Acid SCHEMBL5591207 | 0.90 | CTSL (0.57) | CTSLCTSSCTSKCTSBCHRM4 | |
| SCHEMBL5591423 | 0.89 | CTSS (0.76) | CTSLCTSSCTSKCTSBHDAC3 | |
| SCHEMBL5591440 | 0.89 | CTSL (0.55) | CTSLCTSSCTSKCTSBCHRM4 | |
| SCHEMBL5591210 | 0.88 | CTSL (0.56) | CTSLCTSSCTSKCTSBCHRM4 | |
| Trifluoroacetic Acid SCHEMBL5591481 | 0.88 | CTSS (0.60) | CTSLCTSSCTSKCTSBCHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007025774-A2 | CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-03-08 | — | — | WO | claimed |
| WO-2007025774-A2 | CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-03-08 | — | — | WO | disclosed |
| WO-2007025774-A2 | CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-03-08 | — | — | WO | disclosed |