Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.62 |
| ▸ | CA1 | P00915 | 5/20 | 0.62 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.46 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.46 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4621821 | 0.88 | CA2 (0.63) | CA2CA1MMP2MMP9C3AR1 | |
| SCHEMBL2246061 | 0.88 | CA2 (0.69) | CA2CA1NPC1RAB9AMMP2 | |
| SCHEMBL2245325 | 0.88 | CA2 (0.69) | CA2CA1NPC1RAB9AMMP2 | |
| SCHEMBL1096615 | 0.88 | TAS1R3 (0.49) | CA2CA1TAS1R3TAS1R1L3MBTL1 | |
| SCHEMBL4239668 | 0.86 | TAS1R3 (0.50) | CA2CA1TAS1R3TAS1R1L3MBTL1 | |
| SCHEMBL2245609 | 0.85 | CA2 (0.66) | CA2CA1MMP2MMP9C3AR1 | |
| SCHEMBL2249688 | 0.85 | MMP12 (0.61) | CA2CA1TAS1R3TAS1R1L3MBTL1 | |
| SCHEMBL2246916 | 0.84 | CA2 (0.58) | CA2CA1TAS1R3TAS1R1RAB9A | |
| SCHEMBL2246508 | 0.84 | CA2 (0.60) | CA2CA1L3MBTL1NPC1RAB9A | |
| SCHEMBL2249747 | 0.83 | CA2 (0.63) | CA2CA1MMP2MMP9C3AR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7998965-B2 | Glutamate aggrecanase inhibitors | WYETH LLC (US) | 2011-08-16 | — | — | US | disclosed |