Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | BMP1 | P13497 | 2/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 5/20 | 0.31 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5973042 | 1.00 | MMP13 (0.36) | MMP13MMP1CA1CA2ACHE | |
| SCHEMBL5972705 | 0.80 | ABCB11 (0.36) | SLC6A2SLC6A4SLC6A3MAPTMEN1 | |
| SCHEMBL5972704 | 0.80 | ABCB11 (0.36) | SLC6A2SLC6A4SLC6A3MAPTMEN1 | |
| SCHEMBL5972706 | 0.76 | LMNA (0.38) | L3MBTL1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5972703 | 0.76 | LMNA (0.38) | L3MBTL1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11043932 | 0.75 | CA1 (0.44) | MMP13MMP1CA1CA2ACHE | |
| SCHEMBL18740520 | 0.73 | APLNR (0.44) | MMP13MMP1CA1CA2ACHE | |
| SCHEMBL4860400 | 0.70 | CA1 (0.42) | MMP13MMP1CA1CA2ACHE | |
| SCHEMBL8902034 | 0.69 | ALDH1A1 (0.44) | MMP13MMP1CA1CA2ACHE | |
| SCHEMBL9396248 | 0.68 | ALDH1A1 (0.42) | MMP13MMP1CA1CA2ACHE |
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-1171452-B1 | PYRROLIDINCARBOLYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-08-23 | — | — | EP | disclosed |
| US-6265572-B1 | INHIBIT BINDING OF INTEGRIN EXPRESSING CELLS TO CELL ADHESION MOLECULES OF ENDOTHELIUM | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |