Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.41 |
| ▸ | CD38 | P28907 | 1/20 | 0.37 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4799971 | 1.00 | TP53 (0.42) | TP53SIRT2CD38F2RL1MMP1 | |
| SCHEMBL4799908 | 0.87 | TAS1R3 (0.40) | MMP1MMP2MMP3ALDH1A1MEN1 | |
| SCHEMBL4796443 | 0.87 | KMT2A (0.39) | F2RL1MMP1MMP2MMP3ALDH1A1 | |
| SCHEMBL4797524 | 0.84 | MMP1 (0.36) | MMP1MMP2MMP3ALDH1A1MEN1 | |
| SCHEMBL4796956 | 0.83 | EPHX1 (0.35) | SIRT2F2RL1MMP1MMP2MMP3 | |
| SCHEMBL4800282 | 0.82 | BTK (0.34) | MMP1MMP2MMP3ALDH1A1KDM4E | |
| SCHEMBL6688113 | 0.82 | BTK (0.34) | MMP1MMP2MMP3ALDH1A1KDM4E | |
| SCHEMBL4801922 | 0.80 | EPHX1 (0.37) | CD38MMP1MMP2MMP3MEN1 | |
| SCHEMBL4798549 | 0.79 | F3 (0.39) | F2RL1ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL4796322 | 0.79 | RAB9A (0.34) | ALDH1A1NPC1RAB9ASMN1; SMN2HTT |
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 |