Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6972509 | 0.85 | CTSS (0.46) | CTSSCTSLCTSBOPRM1OPRL1 | |
| SCHEMBL6972941 | 0.84 | CTSS (0.59) | CTSSCHRM4CTSBOPRM1SIGMAR1 | |
| SCHEMBL6965443 | 0.83 | CTSS (0.54) | CTSSCTSLCTSBALDH1A1HPGD | |
| SCHEMBL5364812 | 0.82 | CTSS (0.68) | CTSSCTSL | |
| SCHEMBL7525408 | 0.81 | CTSS (0.47) | CTSSCTSLCTSBOPRM1ALDH1A1 | |
| SCHEMBL5621483 | 0.79 | CTSS (0.53) | CTSSCHRM4CTSBOPRM1SIGMAR1 | |
| SCHEMBL5365007 | 0.78 | CTSS (0.64) | CTSSCTSLCTSB | |
| SCHEMBL6109621 | 0.78 | CTSS (0.64) | CTSSCTSLCTSBMEN1KMT2A | |
| SCHEMBL5364122 | 0.78 | CTSS (0.64) | CTSSCTSLCTSB | |
| SCHEMBL6974066 | 0.78 | CTSS (0.61) | CTSSCTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | disclosed |