Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | HTR1B | P28222 | 2/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 4/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL795618 | 0.83 | KCNA3 (0.58) | KCNA3HTR1BHTR1DTAAR1ALDH1A1 | |
| SCHEMBL31540226 | 0.83 | KCNA3 (0.58) | KCNA3HTR1BHTR1DTAAR1ALDH1A1 | |
| SCHEMBL13461863 | 0.82 | DRD2 (0.48) | DRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL11279783 | 0.81 | KCNA3 (0.56) | KCNA3HTR1BHTR1DTAAR1ALDH1A1 | |
| Iodide SCHEMBL11288702 | 0.81 | KCNA3 (0.56) | KCNA3HTR1BHTR1DTAAR1ALDH1A1 | |
| SCHEMBL27813753 | 0.80 | KDM4E (0.32) | KCNA3ALDH1A1LTA4H | |
| SCHEMBL11764274 | 0.78 | KCNA3 (0.46) | KCNA3HTR1BHTR1DTAAR1ALDH1A1 | |
| SCHEMBL13624062 | 0.77 | KDM4E (0.49) | ALDH1A1 | |
| SCHEMBL12923389 | 0.76 | KCNA3 (0.50) | KCNA3HTR1BHTR1DTAAR1ALDH1A1 | |
| SCHEMBL11283894 | 0.76 | KCNA3 (0.50) | KCNA3HTR1BHTR1DTAAR1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2336109-A1 | NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING SAME | Shionogi&Co., Ltd. (JP) | 2011-06-22 | — | — | EP | disclosed |