Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30693749 | 0.89 | PPARA (0.41) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL27349689 | 0.88 | CTSK (0.37) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL27349791 | 0.78 | POLB (0.50) | HTTALDH1A1MAPTKLK5KMT2A | |
| SCHEMBL24879919 | 0.73 | ALDH1A1 (0.38) | CTSKNFKB1NFKB2RELAGSTP1 | |
| SCHEMBL28961320 | 0.73 | KLK5 (0.40) | CTSKNFKB1NFKB2RELAGSTP1 | |
| SCHEMBL28960834 | 0.73 | ALDH1A1 (0.38) | CTSKNFKB1NFKB2RELAGSTP1 | |
| SCHEMBL28961323 | 0.73 | KLK5 (0.40) | CTSKNFKB1NFKB2RELAGSTP1 | |
| SCHEMBL2367410 | 0.72 | CTSK (0.47) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL3049273 | 0.72 | CTSK (0.47) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL31714029 | 0.71 | PPARA (0.41) | CTSKCTSSCTSLCTSB |
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-2023245162-A2 | COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION | TRAWSFYNYDD THERAPEUTICS, INC. (US) | 2023-12-21 | — | — | WO | disclosed |