Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzylsulfonylbenzene SCHEMBL780337 | 0.69 | TSHR (0.68) | CA1CA2FAAHPRSS1PRSS2 | |
| Benzylsulfonylbenzene SCHEMBL1877584 | 0.67 | TSHR (0.66) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL10728701 | 0.67 | ALDH1A1 (0.50) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL8887464 | 0.67 | TSHR (0.42) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL2233216 | 0.66 | CA2 (0.58) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL3626579 | 0.66 | CA2 (0.52) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL29482080 | 0.65 | TSHR (0.58) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL9870797 | 0.65 | KMT2A (0.51) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL88641 | 0.65 | CA2 (0.64) | CA1CA2FAAHPRSS1PRSS2 | |
| SCHEMBL2767017 | 0.64 | ALDH1A1 (0.56) | CA1CA2FAAHPRSS1PRSS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946508-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| EP-0946528-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028269-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998028282-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |