Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4406529 | 0.84 | ALDH1A1 (0.60) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL5538980 | 0.84 | KDM4E (0.61) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL7356339 | 0.79 | ALDH1A1 (0.66) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1371732 | 0.78 | ALDH1A1 (0.64) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL8343540 | 0.75 | HTR1A (0.65) | KDM4EALDH1A1TDP1DRD2DRD4 | |
| SCHEMBL24872803 | 0.75 | ALDH1A1 (0.60) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL10817438 | 0.75 | KDM4E (0.61) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL16862217 | 0.74 | HTR1A (0.64) | DRD2DRD4DRD3HRH3HTR1A | |
| SCHEMBL4327175 | 0.74 | ALDH1A1 (0.49) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL10743370 | 0.73 | KDM4E (0.52) | KDM4EMDM2ALDH1A1TDP1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917262-B1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-12-14 | — | — | EP | disclosed |
| US-7491821-B2 | 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders | ROCHE PALO ALTO LLC (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1917262-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007020194-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-22 | — | — | WO | disclosed |