Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.63 |
| ▸ | CA1 | P00915 | 4/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP3 | P08254 | 1/20 | 0.49 |
| ▸ | MMP7 | P09237 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL254637 | 1.00 | CA2 (0.63) | CA2CA1NPC1RAB9AMMP1 | |
| SCHEMBL5925541 | 0.95 | CA2 (0.68) | CA2CA1NPC1RAB9ASLC1A2 | |
| SCHEMBL5925540 | 0.95 | CA2 (0.68) | CA2CA1NPC1RAB9ASLC1A2 | |
| SCHEMBL1912260 | 0.88 | CA2 (0.62) | CA2CA1NPC1RAB9ASLC1A2 | |
| SCHEMBL21800950 | 0.87 | CA2 (0.59) | CA2CA1NPC1RAB9ASLC1A2 | |
| SCHEMBL19262697 | 0.87 | CA2 (0.59) | CA2CA1NPC1RAB9ASLC1A2 | |
| SCHEMBL255440 | 0.85 | TAS1R3 (0.48) | CA2CA1NPC1RAB9AHPGDS | |
| SCHEMBL1109123 | 0.85 | CA2 (0.47) | CA2CA1NPC1RAB9AHPGDS | |
| SCHEMBL10272727 | 0.85 | CA2 (0.47) | CA2CA1NPC1RAB9AHPGDS | |
| SCHEMBL255181 | 0.85 | TAS1R3 (0.48) | CA2CA1NPC1RAB9AHPGDS |
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-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |