Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7994011 | 0.87 | ALOX5AP (0.42) | — | |
| SCHEMBL7995476 | 0.83 | F10 (0.44) | F10POLBCA1CA2PRSS1 | |
| SCHEMBL7994030 | 0.79 | F10 (0.36) | ABCB1ADAMTS4F10THRBTDP1 | |
| SCHEMBL7994282 | 0.73 | F2 (0.41) | POLBF2PRSS1MEN1KMT2A | |
| SCHEMBL7995485 | 0.73 | FEN1 (0.41) | — | |
| SCHEMBL7995533 | 0.71 | ALOX5AP (0.49) | — | |
| SCHEMBL7994136 | 0.70 | ALOX5AP (0.54) | — | |
| SCHEMBL17978496 | 0.69 | CA1 (0.49) | THRBTDP1CA1CA2MMP1 | |
| SCHEMBL1630292 | 0.69 | CA1 (0.63) | THRBTDP1CA1CA2MMP1 | |
| SCHEMBL10785609 | 0.69 | EDNRA (0.48) | TDP1CA2LMNAMAPTAKR1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810858-A4 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | DU PONT PHARM CO (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-0810858-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996020689-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-11 | — | — | WO | disclosed |