Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HA1 | P13674 | 3/20 | 0.66 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.66 |
| ▸ | LDHA | P00338 | 2/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | MIF | P14174 | 1/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.47 |
| ▸ | GABRD | O14764 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.47 |
| ▸ | GABRE | P78334 | 1/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.47 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.47 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4652654 | 0.83 | LDHA (0.62) | P4HA1P4HTMLDHANAPRTMIF | |
| SCHEMBL29683317 | 0.80 | P4HTM (1.00) | P4HA1P4HTMLDHANAPRTMIF | |
| SCHEMBL29397057 | 0.80 | P4HTM (1.00) | P4HA1P4HTMLDHANAPRTMIF | |
| SCHEMBL68560 | 0.80 | P4HTM (1.00) | P4HA1P4HTMLDHANAPRTMIF | |
| SCHEMBL4651415 | 0.79 | P4HA1 (0.66) | P4HA1P4HTMLDHANAPRTMIF | |
| Potassium SCHEMBL30900922 | 0.78 | P4HTM (0.95) | P4HA1P4HTMLDHANAPRTMIF | |
| Hydrochloric Acid SCHEMBL8871610 | 0.78 | P4HTM (0.95) | P4HA1P4HTMLDHANAPRTMIF | |
| SCHEMBL29689741 | 0.77 | P4HTM (0.83) | P4HA1P4HTMLDHANAPRTMIF | |
| SCHEMBL30863301 | 0.77 | P4HTM (0.83) | P4HA1P4HTMLDHANAPRTMIF | |
| SCHEMBL503140 | 0.76 | LDHA (0.79) | P4HA1P4HTMLDHANAPRTMIF |
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-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |