Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 17/20 | 0.66 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.65 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.65 |
| ▸ | CTSK | P43235 | 10/20 | 0.64 |
| ▸ | CTSS | P25774 | 9/20 | 0.64 |
| ▸ | CTSB | P07858 | 7/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL14283702 | 0.83 | TAS1R3 (0.68) | CTSLTAS1R3TAS1R1CTSKCTSS | |
| SCHEMBL701044 | 0.79 | TAS1R3 (1.00) | TAS1R3TAS1R1CTSK | |
| SCHEMBL701043 | 0.79 | TAS1R3 (1.00) | TAS1R3TAS1R1CTSK | |
| SCHEMBL17533671 | 0.77 | CTSL (0.60) | CTSLCTSKCTSSCTSB | |
| SCHEMBL17533636 | 0.76 | CTSL (0.58) | CTSLCTSKCTSSCTSB | |
| SCHEMBL17533699 | 0.76 | CTSL (0.58) | CTSLCTSKCTSSCTSB | |
| SCHEMBL23673470 | 0.75 | CTSL (0.62) | CTSLCTSKCTSSCTSB | |
| SCHEMBL23673473 | 0.75 | CTSL (0.62) | CTSLCTSKCTSSCTSB | |
| SCHEMBL6183254 | 0.74 | CTSL (0.70) | CTSLCTSKCTSSCTSB | |
| SCHEMBL7463161 | 0.74 | TAS1R3 (0.66) | TAS1R3TAS1R1CTSKCTSS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016027285-A2 | BICYCLIC HETEROARYL AMIDES AS CATHEPSIN CYSTEINE PROTEASE INHIBITORS | ALKEM LABORATORIES LTD. (IN) | 2016-02-25 | — | — | WO | disclosed |