Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17137969 | 0.84 | ITGA4 (0.50) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL13163803 | 0.84 | ITGA4 (0.50) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL7609380 | 0.84 | ITGA4 (0.50) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL8724329 | 0.83 | ITGA4 (0.49) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL8724334 | 0.83 | ITGA4 (0.49) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL12600955 | 0.83 | ITGA4 (0.49) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL6442123 | 0.79 | ITGA4 (0.46) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL7299632 | 0.79 | ITGA4 (0.46) | ITGA4ITGB7CA12CA7CA14 | |
| SCHEMBL1937057 | 0.79 | ABCB1 (0.46) | ITGA4ITGB7ATMPOLBKLK5 | |
| SCHEMBL6795785 | 0.78 | PTPRB (0.51) | — |
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-0739338-B1 | SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE | UNIV WICHITA STATE (US) | 2002-04-10 | — | — | EP | disclosed |
| US-5550139-A | ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT | THE WICHITA STATE UNIVERSITY (US) | 1996-08-27 | — | — | US | disclosed |