Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | ELOVL6 | Q9H5J4 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27896495 | 1.00 | CA1 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL27896509 | 1.00 | CA1 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498347 | 0.88 | CA1 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL12692929 | 0.87 | CA1 (0.50) | CA1CA2MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL27879685 | 0.86 | HTR6 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL1498361 | 0.86 | HTR6 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498396 | 0.84 | CA1 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498484 | 0.83 | ELOVL6 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498485 | 0.83 | ELOVL6 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL24508754 | 0.82 | CA1 (0.55) | CA1CA2MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102762534-A | Aryl sulfone derivatives as calcium channel blockers | ZALICUS PHARMACEUTICALS LTD | 2012-10-31 | — | — | CN | disclosed |