Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 4/20 | 0.48 |
| ▸ | CTSG | P08311 | 4/20 | 0.48 |
| ▸ | CTRB1 | P17538 | 4/20 | 0.48 |
| ▸ | CMA1 | P23946 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7825860 | 0.87 | PRSS1 (0.58) | PRSS1CTSGCTRB1CMA1CYP2D6 | |
| SCHEMBL7826105 | 0.82 | MEN1 (0.52) | PRSS1CTSGCTRB1CMA1CYP2D6 | |
| SCHEMBL7837285 | 0.79 | EPHX2 (0.55) | PRSS1CTSGCTRB1CMA1CYP2C9 | |
| SCHEMBL7838715 | 0.79 | PRSS1 (0.46) | PRSS1CTSGCTRB1CMA1MEN1 | |
| SCHEMBL7836741 | 0.78 | PRSS1 (0.62) | PRSS1CTSGCTRB1CMA1CYP2D6 | |
| SCHEMBL7837372 | 0.78 | ITGB3 (0.45) | PRSS1CTSGCTRB1CMA1CYP2D6 | |
| SCHEMBL7836194 | 0.77 | PRSS1 (0.47) | PRSS1CTSGCTRB1CMA1CYP3A4 | |
| SCHEMBL7835566 | 0.77 | PRSS1 (0.45) | PRSS1CTSGCTRB1CMA1MEN1 | |
| SCHEMBL7835765 | 0.74 | MEN1 (0.49) | PRSS1CTSGCTRB1CMA1MEN1 | |
| SCHEMBL5947886 | 0.74 | EPHX2 (0.63) | CYP2D6CYP2C9SLC6A9SLC6A5MEN1 |
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-0800516-B1 | FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | NIPPON STEEL CORP (JP) | 2001-09-19 | — | — | EP | disclosed |
| US-5866592-A | Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same | NIPPON STEEL CORPORATION (JP) | 1999-02-02 | — | — | US | disclosed |