Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3921210 | 1.00 | KDM4E (0.39) | KDM4EALDH1A1S1PR1S1PR5RAB9A | |
| SCHEMBL3913756 | 0.85 | GBA1 (0.41) | ALDH1A1S1PR1S1PR5HRH3HRH4 | |
| SCHEMBL3927020 | 0.82 | GBA1 (0.48) | KDM4EALDH1A1RAB9AMAPTNPC1 | |
| SCHEMBL3921687 | 0.82 | GBA1 (0.48) | KDM4EALDH1A1RAB9AMAPTNPC1 | |
| SCHEMBL3914828 | 0.81 | DRD2 (0.39) | KDM4EALDH1A1S1PR1S1PR5RAB9A | |
| SCHEMBL4596731 | 0.76 | MLNR (0.69) | MLNRCYP3A4 | |
| SCHEMBL2766832 | 0.71 | KDM4E (0.43) | KDM4EALDH1A1S1PR1S1PR5RAB9A | |
| SCHEMBL377504 | 0.71 | PTPN2 (0.39) | KDM4EALDH1A1RAB9AMAPTTP53 | |
| SCHEMBL3911225 | 0.67 | MLNR (0.34) | S1PR1S1PR5TP53MLNRFAAH | |
| SCHEMBL4597553 | 0.67 | SMN1; SMN2 (0.39) | KDM4EALDH1A1RAB9AMAPTNPC1 |
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-2041093-A1 | PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES | Glaxo Group Limited (GB) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008000729-A1 | PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES | GLAXO GROUP LIMITED (GB) | 2008-01-03 | — | — | WO | disclosed |