Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.50 |
| ▸ | CTSL | P07711 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6688266 | 0.89 | HTR2B (0.47) | CTSLCTSSCTSK | |
| SCHEMBL6690045 | 0.84 | ALDH1A1 (0.51) | EPHX2CTSLNPC1RAB9ACTSS | |
| SCHEMBL6687888 | 0.84 | EPHX2 (0.51) | EPHX2CTSLNPC1RAB9ACYP2C9 | |
| SCHEMBL5525765 | 0.81 | CTSL (0.71) | EPHX2CTSLNPC1RAB9ACYP2C9 | |
| SCHEMBL6687243 | 0.81 | CTSS (0.53) | CTSLNPC1RAB9ACTSSCTSK | |
| SCHEMBL5843087 | 0.80 | CTSL (0.69) | CTSLCTSSCTSK | |
| SCHEMBL5843090 | 0.80 | CTSL (0.69) | CTSLCTSSCTSK | |
| SCHEMBL6685236 | 0.79 | CTSS (0.60) | CTSLCTSSCTSK | |
| SCHEMBL6688308 | 0.77 | CTSS (0.47) | CTSLNPC1RAB9ACTSSCTSK | |
| SCHEMBL6692653 | 0.77 | CTSS (0.43) | CTSLCTSSEPHX1CTSK |
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-2004084842-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |