Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 2/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.44 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FPR3 | P25089 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31096238 | 0.88 | GPR119 (0.42) | KCNK3KCNK9S1PR1HDAC1HDAC6 | |
| SCHEMBL377569 | 0.87 | GBA1 (0.41) | KCNK3KCNK9S1PR1ALDH1A1HRH3 | |
| SCHEMBL1704169 | 0.86 | HRH3 (0.44) | RORCS1PR1HDAC1HDAC6HRH3 | |
| SCHEMBL4595783 | 0.86 | HRH3 (0.44) | RORCS1PR1HDAC1HDAC6HRH3 | |
| SCHEMBL3660136 | 0.85 | CHRM4 (0.41) | KCNK3KCNK9S1PR1HDAC1HDAC6 | |
| SCHEMBL377504 | 0.85 | PTPN2 (0.39) | KCNK3KCNK9POLBKDM4EALDH1A1 | |
| SCHEMBL11978840 | 0.85 | HDAC1 (0.36) | KCNK3KCNK9S1PR1HDAC1HDAC6 | |
| SCHEMBL16627299 | 0.84 | GPR119 (0.50) | ALDH1A1FAAHMEN1KMT2AGPR119 | |
| SCHEMBL377559 | 0.83 | ALDH1A1 (0.48) | KDM4EALDH1A1 | |
| SCHEMBL1704580 | 0.83 | MLNR (0.41) | RORCS1PR1KDM4EALDH1A1HDAC1 |
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-1907374-B1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | GLAXO GROUP LTD (GB) | 2012-08-22 | — | — | EP | disclosed |
| EP-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |