Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | JUN | P05412 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9247583 | 1.00 | KDM4E (0.55) | KDM4EMAPTJUNNFKB1CA12 | |
| SCHEMBL4683429 | 0.87 | KDM4E (0.68) | KDM4EMAPTJUNNFKB1CA12 | |
| SCHEMBL8865229 | 0.87 | KDM4E (0.68) | KDM4EMAPTJUNNFKB1CA12 | |
| SCHEMBL10398774 | 0.87 | KDM4E (0.68) | KDM4EMAPTJUNNFKB1CA12 | |
| SCHEMBL523185 | 0.82 | HDAC3 (0.62) | MAPTCA12CA1CA2TYR | |
| SCHEMBL14080887 | 0.82 | HDAC3 (0.62) | MAPTCA12CA1CA2TYR | |
| SCHEMBL523184 | 0.82 | HDAC3 (0.62) | MAPTCA12CA1CA2TYR | |
| SCHEMBL4956577 | 0.82 | CA12 (0.54) | KDM4EMAPTJUNNFKB1CA12 | |
| SCHEMBL4956580 | 0.82 | CA12 (0.54) | KDM4EMAPTJUNNFKB1CA12 | |
| SCHEMBL2651781 | 0.81 | CA12 (0.56) | KDM4EMAPTCA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5441967-A | Treating cerebral edema; anticholinesterase or brain function-improving agent | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-08-15 | — | — | US | disclosed |
| US-5294625-A | 1-benzyl,4-((4-dialkylaminophenyl)carbonyl)piperidines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-15 | — | — | US | disclosed |
| EP-0378207-B1 | CYCLIC AMINE COMPOUNDS AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1993-09-22 | — | — | EP | disclosed |
| US-5177087-A | Cerebral edema, cholinesterase inhibitor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-05 | — | — | US | disclosed |
| EP-0378207-A1 | Cyclic amine compounds and their use | Takeda Chemical Industries, Ltd. (JP) | 1990-07-18 | — | — | EP | disclosed |