Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 6/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 3/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2396618 | 1.00 | CTSL (0.42) | CTSLCTSSCTSKCTSBLMNA | |
| SCHEMBL2398750 | 0.83 | KIF11 (0.47) | CTSLCTSSCTSKCTSB | |
| SCHEMBL2398747 | 0.83 | KIF11 (0.47) | CTSLCTSSCTSKCTSB | |
| SCHEMBL2401298 | 0.83 | CTSL (0.37) | CTSLCTSSCTSKCTSBLMNA | |
| SCHEMBL1272546 | 0.79 | CTSL (0.53) | CTSLCTSSCTSKCTSBACE | |
| SCHEMBL1272545 | 0.79 | CTSL (0.53) | CTSLCTSSCTSKCTSBACE | |
| SCHEMBL2346160 | 0.77 | ACE (0.39) | CTSLCTSSCTSKCTSBACE | |
| SCHEMBL2346150 | 0.77 | ACE (0.39) | CTSLCTSSCTSKCTSBACE | |
| SCHEMBL1272477 | 0.75 | CTSL (0.44) | CTSLCTSSCTSKCTSBACE | |
| SCHEMBL1272478 | 0.75 | CTSL (0.44) | CTSLCTSSCTSKCTSBACE |
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 |
|---|---|---|---|---|---|---|---|
| US-8013186-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2011-09-06 | — | — | US | disclosed |