Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 6/20 | 0.45 |
| ▸ | MMP3 | P08254 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NR1I3 | Q14994 | 5/20 | 0.42 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7909162 | 0.87 | MMP8 (0.43) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL27975122 | 0.83 | MMP8 (0.47) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL3102179 | 0.83 | NR1I3 (0.46) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL3098889 | 0.83 | NR1I3 (0.46) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL3093406 | 0.82 | MMP8 (0.45) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL3090378 | 0.82 | MMP8 (0.45) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL3090372 | 0.82 | MMP8 (0.45) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL3104630 | 0.81 | MMP8 (0.48) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL7909165 | 0.81 | MMP8 (0.44) | CA12CA1CA9MMP8MMP3 | |
| SCHEMBL19996133 | 0.79 | NPC1 (0.53) | CA12CA1CA9NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010075255-A2 | METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2010-07-01 | — | — | WO | disclosed |