Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 3/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686627 | 0.90 | NPC1 (0.38) | NPC1TDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL6693491 | 0.88 | NPC1 (0.42) | OPRM1OPRD1NPC1TDP1MEN1 | |
| SCHEMBL6685681 | 0.88 | EPHX2 (0.48) | NPC1MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL6688679 | 0.86 | NPC1 (0.39) | HTR7NPC1TDP1MEN1KMT2A | |
| SCHEMBL6690552 | 0.85 | TSHR (0.51) | KMT2AOPRK1 | |
| SCHEMBL6686695 | 0.84 | MEN1 (0.40) | TDP1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL6689992 | 0.83 | CFD (0.41) | ALDH1A1CYP2C9 | |
| SCHEMBL6687208 | 0.82 | TRPA1 (0.35) | PARP10TDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL6693494 | 0.81 | SLC6A9 (0.37) | PARP10NPC1 | |
| SCHEMBL6685923 | 0.81 | RAB9A (0.38) | NPC1SMN1; SMN2 |
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 |