Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 2/20 | 0.41 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6984706 | 0.92 | ALDH1A1 (0.40) | KDM4EALDH1A1POLBKCNA5LMNA | |
| SCHEMBL8579639 | 0.89 | DRD3 (0.40) | ALDH1A1LMNADRD2DRD3KMT2A | |
| SCHEMBL6976776 | 0.88 | CA12 (0.44) | KDM4EALDH1A1POLBLMNAKMT2A | |
| SCHEMBL6982088 | 0.84 | ALDH1A1 (0.48) | KDM4EALDH1A1MAPTPOLBLMNA | |
| SCHEMBL6981795 | 0.79 | POLB (0.47) | KDM4EALDH1A1POLBLMNADRD3 | |
| SCHEMBL6983252 | 0.76 | CACNA1B (0.36) | DRD3 | |
| SCHEMBL6974103 | 0.76 | NPC1 (0.48) | KDM4EALDH1A1MAPTPOLBDRD3 | |
| Hydrochloric Acid SCHEMBL6986400 | 0.75 | HTR1A (0.41) | KDM4EALDH1A1MAPTLMNADRD2 | |
| Hydrochloric Acid SCHEMBL6984012 | 0.70 | SIGMAR1 (0.45) | ALDH1A1POLBLMNAKMT2AMEN1 | |
| SCHEMBL6976497 | 0.67 | CARM1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0923575-B1 | CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-12 | — | — | EP | disclosed |
| US-6172085-B1 | CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |