Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29651938 | 0.82 | KDM4E (0.57) | ALDH1A1MAPK1RAB9AKDM4EGAA | |
| SCHEMBL108950 | 0.82 | KDM4E (0.57) | ALDH1A1MAPK1RAB9AKDM4EGAA | |
| Hydrochloric Acid SCHEMBL30529579 | 0.80 | KDM4E (0.55) | ALDH1A1MAPK1RAB9AKDM4EGAA | |
| Hydrochloric Acid SCHEMBL27902568 | 0.80 | KDM4E (0.55) | ALDH1A1MAPK1RAB9AKDM4EGAA | |
| Hydrochloric Acid SCHEMBL29070148 | 0.80 | KDM4E (0.55) | ALDH1A1MAPK1RAB9AKDM4EGAA | |
| SCHEMBL68869 | 0.80 | MAPK1 (0.63) | ALDH1A1MAPK1KDM4EL3MBTL1HSD17B10 | |
| SCHEMBL1830422 | 0.79 | KDM4E (0.64) | ALDH1A1HDAC1HDAC8HDAC6KDM4E | |
| SCHEMBL2649965 | 0.76 | RAB9A (0.52) | ALDH1A1RAB9AKDM4EGAAL3MBTL1 | |
| SCHEMBL18093551 | 0.75 | MAPK1 (0.70) | ALDH1A1MAPK1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL1961175 | 0.74 | MAPK1 (0.46) | ALDH1A1MAPK1RAB9AKDM4EL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786800-A4 | SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORP (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-1786800-A2 | SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006026135-A2 | SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2006-03-09 | — | — | WO | disclosed |