Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 8/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | AMPD2 | Q01433 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4798400 | 0.78 | CTSS (0.55) | CTSSCTSLCTSKHDAC1HDAC6 | |
| SCHEMBL6685915 | 0.70 | RAB9A (0.35) | OPRL1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL6685923 | 0.70 | RAB9A (0.38) | CTSSCTSLCTSKNPC1RAB9A | |
| SCHEMBL6693491 | 0.69 | NPC1 (0.42) | OPRM1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL6690873 | 0.69 | RAB9A (0.40) | OPRL1NPC1RAB9AALDH1A1POLB | |
| SCHEMBL5404170 | 0.69 | OPRM1 (0.39) | CTSSCTSLCTSKOPRM1OPRK1 | |
| SCHEMBL4798402 | 0.68 | CTSS (0.70) | CTSSCTSLCTSK | |
| SCHEMBL6693494 | 0.68 | SLC6A9 (0.37) | NPC1RAB9A | |
| SCHEMBL6690869 | 0.66 | CTSS (0.60) | CTSSCTSLCTSKHDAC1HDAC6 | |
| SCHEMBL6688679 | 0.65 | NPC1 (0.39) | MEN1KMT2ANPC1RAB9AALDH1A1 |
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-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |