Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 5/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | TARS1 | P26639 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5445424 | 0.77 | MMP2 (0.61) | TARS1MMP1MMP2MMP13ALDH1A1 | |
| Diphenylether SCHEMBL28267534 | 0.65 | LTA4H (0.52) | LTA4HNPY5R | |
| Hydrochloric Acid SCHEMBL27454190 | 0.65 | NPY5R (0.44) | LTA4HNPY5RHPGDNPC1CRHBP | |
| SCHEMBL11642407 | 0.64 | MITF (0.57) | NPY5RHPGDRAB9AALDH1A1 | |
| SCHEMBL16351385 | 0.63 | ATM (0.49) | HPGDALDH1A1 | |
| SCHEMBL16351387 | 0.63 | ATM (0.49) | HPGDALDH1A1 | |
| Diphenylether SCHEMBL7033901 | 0.63 | LTA4H (0.60) | LTA4HHPGDNPC1CRHBPRAB9A | |
| SCHEMBL10056865 | 0.63 | FFAR1 (0.56) | LTA4HNPY5RPPARGPPARA | |
| SCHEMBL12379268 | 0.63 | FFAR1 (0.56) | LTA4HNPY5RPPARGPPARA | |
| SCHEMBL2292317 | 0.62 | ACACB (0.53) | LTA4HNPY5RPPARGPPARA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | disclosed |