Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.95 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.46 |
| ▸ | ITGAL | P20701 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL89002 | 0.98 | ALDH1A1 (1.00) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL23572345 | 0.68 | CA1 (0.48) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL29597557 | 0.68 | ALDH1A1 (0.54) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL29351086 | 0.68 | CA12 (1.00) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL403269 | 0.68 | ALDH1A1 (0.54) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL8621 | 0.68 | CA12 (1.00) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL29152421 | 0.68 | ALDH1A1 (0.54) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL30958273 | 0.68 | CA12 (1.00) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL5437282 | 0.68 | CA12 (1.00) | ALDH1A1CA1CA4CA6CA12 | |
| SCHEMBL9372764 | 0.68 | CA1 (0.48) | ALDH1A1CA1CA4CA6CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101955477-B | 2-cyclopropyl-4-substituted thiophenyl quinoline compounds as well as intermediate, preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2012-08-29 | — | — | CN | claimed |
| CN-101955477-A | 2-cyclopropyl-4-substituted thiophenyl quinoline compounds as well as intermediate, preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2011-01-26 | — | — | CN | claimed |
| CN-101955477-B | 2-cyclopropyl-4-substituted thiophenyl quinoline compounds as well as intermediate, preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2012-08-29 | — | — | CN | disclosed |
| CN-101955477-A | 2-cyclopropyl-4-substituted thiophenyl quinoline compounds as well as intermediate, preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2011-01-26 | — | — | CN | disclosed |