Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3483279 | 0.82 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31345281 | 0.79 | HSP90AA1 (0.44) | CYP1A2CYP2A6HSP90AA1HSP90AB1HTR2A | |
| SCHEMBL1145316 | 0.78 | SLC6A4 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13066221 | 0.78 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29768449 | 0.78 | SLC6A4 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19785375 | 0.76 | HSP90AA1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31345280 | 0.75 | GPR3 (0.45) | CYP1A2CYP2A6HSP90AA1HSP90AB1TDP1 | |
| SCHEMBL672015 | 0.74 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL130126 | 0.74 | MCL1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL440122 | 0.74 | CA12 (0.62) | CA12CA1CA2CA7CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2838891-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013125732-A1 | AROMATIC RING COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-29 | — | — | WO | disclosed |
| CN-102448978-A | Novel Glucocorticoid Receptor Agonists | PFIZER LTD | 2012-05-09 | — | — | CN | disclosed |
| CN-100378072-C | Heterocyclic methyl sulfone derivative | DAIICHI SEIYAKU CO (JP) | 2008-04-02 | — | — | CN | disclosed |
| WO-2005009966-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2005-02-03 | — | — | WO | disclosed |
| US-4024272-A | Tetracyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-05-17 | — | — | US | disclosed |