Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 2/20 | 0.77 |
| ▸ | MMP8 | P22894 | 2/20 | 0.77 |
| ▸ | MMP14 | P50281 | 1/20 | 0.77 |
| ▸ | TACR1 | P25103 | 2/20 | 0.65 |
| ▸ | MMP2 | P08253 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.60 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.60 |
| ▸ | ITGAL | P20701 | 2/20 | 0.60 |
| ▸ | ACE | P12821 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | APAF1 | O14727 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CCKBR | P32239 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ECE1 | P42892 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL26647227 | 0.88 | MMP9 (0.61) | MMP9MMP8MMP14TACR1ALOX15 | |
| SCHEMBL26647233 | 0.88 | MMP9 (0.61) | MMP9MMP8MMP14TACR1ALOX15 | |
| SCHEMBL8200367 | 0.87 | TACR1 (0.86) | MMP9MMP8MMP14TACR1ALOX15 | |
| SCHEMBL8200364 | 0.87 | TACR1 (0.86) | MMP9MMP8MMP14TACR1ALOX15 | |
| SCHEMBL3857226 | 0.85 | ALOX15 (0.74) | ALOX15ITGB2ICAM1ITGALACE | |
| SCHEMBL3857229 | 0.85 | ALOX15 (0.74) | ALOX15ITGB2ICAM1ITGALACE | |
| SCHEMBL22059460 | 0.84 | MMP9 (0.68) | MMP9MMP8MMP14TACR1MMP2 | |
| SCHEMBL22059492 | 0.84 | MMP9 (0.68) | MMP9MMP8MMP14TACR1MMP2 | |
| SCHEMBL25001444 | 0.84 | CTSL (0.68) | MMP9MMP8MMP14TACR1MMP2 | |
| SCHEMBL3787557 | 0.84 | MMP9 (0.72) | MMP9MMP8MMP14MMP2ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260022-B1 | SUBSTITUTED CYCLOHEXYLDIAMINES | GRUENENTHAL GMBH (DE) | 2017-01-04 | — | — | EP | disclosed |
| EP-2260022-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | Grünenthal GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009118174-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |