Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 6/20 | 0.49 |
| ▸ | MMP2 | P08253 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6558721 | 0.91 | TBXAS1 (0.49) | TBXAS1MMP2CA12CA1CA2 | |
| SCHEMBL6557786 | 0.72 | ALDH1A1 (0.48) | TBXAS1MMP2FFAR4MMP13MMP1 | |
| SCHEMBL2845658 | 0.72 | LMNA (0.55) | CA12CA1CA2CA9FFAR4 | |
| SCHEMBL6557790 | 0.71 | MMP1 (0.50) | TBXAS1MMP2FFAR4MMP13MMP1 | |
| SCHEMBL6558732 | 0.70 | MMP1 (0.50) | TBXAS1MMP2FFAR4MMP13MMP1 | |
| SCHEMBL5445643 | 0.70 | ALDH1A1 (0.51) | TBXAS1MMP2FFAR4MMP13MMP1 | |
| SCHEMBL5445650 | 0.70 | ALDH1A1 (0.48) | TBXAS1MMP2CA2CA9FFAR4 | |
| SCHEMBL16114401 | 0.69 | LMNA (0.75) | ALDH1A1CYP1A2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL10029061 | 0.69 | MMP2 (0.63) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL4521900 | 0.69 | ALDH1A1 (0.74) | MMP2CA12CA1CA2CA9 |
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 |