Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.34 |
| ▸ | CA2 | P00918 | 9/20 | 0.34 |
| ▸ | CA9 | Q16790 | 8/20 | 0.34 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28079407 | 0.94 | CA1 (0.36) | CA1CA2CA9LPAR3CA12 | |
| SCHEMBL28079548 | 0.82 | CYP3A4 (0.36) | TSHRHPGDALDH1A1 | |
| SCHEMBL6132442 | 0.81 | — | — | |
| SCHEMBL64218 | 0.81 | — | — | |
| SCHEMBL65782 | 0.78 | — | — | |
| SCHEMBL984562 | 0.78 | TSHR (0.50) | CA1CA2CA9LPAR3CA12 | |
| SCHEMBL11155064 | 0.78 | TSHR (0.50) | CA1CA2CA9LPAR3CA12 | |
| SCHEMBL545411 | 0.78 | TSHR (0.50) | CA1CA2CA9LPAR3CA12 | |
| SCHEMBL21633767 | 0.78 | ALDH1A1 (0.44) | TSHRALDH1A1 | |
| SCHEMBL11350530 | 0.78 | TSHR (0.50) | CA1CA2CA9LPAR3CA12 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458815-B | Condensed double-aryl fullerene derivate | 默克专利股份有限公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-106103436-B | Organic semiconductor compound | 默克专利股份有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-109314184-A | Organic semiconductor | 默克专利股份有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-106661058-A | Extended nonlinear acene derivatives and their use as organic semiconductors | 默克专利股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106536528-A | Polycyclic polymers based on tetra-heteroaryl indacenodithiophenes and their use | 默克专利股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-106458808-A | Fullerene derivatives | 默克专利股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106458815-A | Fused bis-aryl fullerene derivatives | 默克专利股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106103436-A | Organic semiconductor compound | 默克专利股份有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105765028-A | Conjugated polymers | 默克专利股份有限公司 | 2016-07-13 | — | — | CN | disclosed |