Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.57 |
| ▸ | CTSB | P07858 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27169695 | 1.00 | CTSL (0.57) | CTSLCTSBCYP3A4HPGDCYP2C19 | |
| SCHEMBL27169610 | 1.00 | CTSL (0.57) | CTSLCTSBCYP3A4HPGDCYP2C19 | |
| SCHEMBL24530254 | 1.00 | CTSL (0.57) | CTSLCTSBCYP3A4HPGDCYP2C19 | |
| SCHEMBL27169608 | 1.00 | CTSL (0.57) | CTSLCTSBCYP3A4HPGDCYP2C19 | |
| SCHEMBL24530248 | 0.91 | CTSL (0.54) | CTSLCTSB | |
| SCHEMBL24530194 | 0.91 | CTSL (0.54) | CTSLCTSB | |
| SCHEMBL27169645 | 0.91 | CTSL (0.54) | CTSLCTSB | |
| SCHEMBL24530249 | 0.91 | CTSL (0.54) | CTSLCTSB | |
| SCHEMBL27169644 | 0.91 | CTSL (0.54) | CTSLCTSB | |
| SCHEMBL24530255 | 0.90 | CTSL (0.53) | CTSLCTSB |
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-4263502-A1 | SARS-COV-2 MPRO INHIBITOR COMPOUNDS | Heptares Therapeutics Limited (GB) | 2023-10-25 | — | — | EP | disclosed |
| WO-2022129953-A1 | SARS-COV-2 MPRO INHIBITOR COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |