Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1621319 | 0.79 | MMP1 (0.38) | CA2MMP1MMP9MMP13FAAH | |
| SCHEMBL6007078 | 0.77 | CA2 (0.37) | CA2MMP1MMP9MMP13FAAH | |
| Hydrochloric Acid SCHEMBL10392599 | 0.76 | NOS2 (0.37) | NOS2 | |
| SCHEMBL10868008 | 0.72 | CA2 (0.47) | CA2MMP1MMP9MMP13FAAH | |
| SCHEMBL2304274 | 0.71 | CA2 (0.43) | CA2MMP1MMP9MMP13FAAH | |
| SCHEMBL27265114 | 0.70 | CA2 (0.39) | CA2MMP1MMP9MMP13FAAH | |
| SCHEMBL10534028 | 0.69 | ARG1 (0.41) | CA2MMP1MMP9MMP13NOS2 | |
| SCHEMBL29269955 | 0.68 | MMP1 (0.49) | CA2MMP1MMP9MMP13FAAH | |
| Trifluoroacetic Acid SCHEMBL18246400 | 0.68 | FAAH (0.44) | CA2FAAHCES2HSD17B10CES1 | |
| SCHEMBL15120351 | 0.67 | CA2 (0.41) | CA2MMP1MMP9MMP13FAAH |
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-0944619-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 1999-09-29 | — | — | EP | claimed |
| WO-1998023608-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-06-04 | — | — | WO | claimed |