Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28229654 | 1.00 | MMP1 (0.47) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL8778800 | 1.00 | MMP1 (0.47) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL8778812 | 1.00 | MMP1 (0.47) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL8778866 | 1.00 | MMP1 (0.47) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL8778824 | 1.00 | MMP1 (0.47) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL6019496 | 0.98 | ALDH1A1 (0.47) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL8778805 | 0.92 | ALDH1A1 (0.49) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL8778790 | 0.84 | CA1 (0.50) | MMP1MMP9MMP13ALDH1A1HPGD | |
| SCHEMBL12040728 | 0.84 | CA2 (0.56) | MMP1MMP9MMP13CA2EPHX2 | |
| SCHEMBL28481982 | 0.82 | ESR1 (0.56) | ALDH1A1HPGDCA2KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | claimed |
| EP-2268606-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009132978-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-05 | — | — | WO | disclosed |
| EP-0602914-B1 | Ink compositions for ink jet printing | XEROX CORP (US) | 1997-11-12 | — | — | EP | disclosed |
| EP-0602914-A1 | Ink compositions for ink jet printing | XEROX CORPORATION (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | disclosed |