Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5513421 | 0.82 | CA9 (0.53) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL12461283 | 0.82 | — | — | |
| SCHEMBL23323352 | 0.80 | ADRA2A (0.38) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL10290142 | 0.77 | CYP3A4 (0.42) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL15746143 | 0.76 | GPR84 (0.31) | — | |
| SCHEMBL318772 | 0.76 | CA9 (0.48) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL14534508 | 0.74 | HSD17B10 (0.44) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| Fluoride SCHEMBL31295684 | 0.73 | CA9 (0.46) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL29940963 | 0.72 | CA3 (0.40) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL5511692 | 0.72 | CA9 (0.50) | CA3CA6CA5ACA9CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012011125-A1 | AGONISTS OF GPR40 | CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |