Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 3/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 5/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6687888 | 0.91 | EPHX2 (0.51) | KMT2ACTSLEPHX2NPC1RAB9A | |
| SCHEMBL6690125 | 0.90 | PRMT5 (0.49) | ALDH1A1KMT2ASMN1; SMN2CTSLEPHX2 | |
| SCHEMBL6687973 | 0.84 | EPHX2 (0.50) | KMT2ACTSLEPHX2NPC1RAB9A | |
| SCHEMBL6688308 | 0.84 | CTSS (0.47) | ALDH1A1SMN1; SMN2CTSLNPC1RAB9A | |
| SCHEMBL6689089 | 0.81 | KMT2A (0.42) | ALDH1A1KMT2ASMN1; SMN2TSHRCTSL | |
| SCHEMBL5842783 | 0.80 | CTSS (0.63) | CTSLCTSSCTSK | |
| SCHEMBL5842791 | 0.80 | CTSS (0.63) | CTSLCTSSCTSK | |
| SCHEMBL6690062 | 0.79 | CTSS (0.48) | KMT2ACTSLEPHX2NR1H4CTSS | |
| SCHEMBL6692653 | 0.78 | CTSS (0.43) | CTSLCTSSCTSK | |
| SCHEMBL6688266 | 0.77 | HTR2B (0.47) | ALDH1A1CTSLCTSSCTSK |
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 |