Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MLNR | O43193 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3921081 | 0.86 | DRD2 (0.40) | DRD2DRD4KDM4EALDH1A1S1PR1 | |
| SCHEMBL3912115 | 0.86 | DRD2 (0.40) | DRD2DRD4KDM4EALDH1A1S1PR1 | |
| SCHEMBL4597553 | 0.86 | SMN1; SMN2 (0.39) | DRD2DRD4KDM4EALDH1A1RAB9A | |
| SCHEMBL3911225 | 0.85 | MLNR (0.34) | DRD2DRD4TP53MLNRS1PR1 | |
| SCHEMBL3914146 | 0.84 | KDM4E (0.46) | KDM4EALDH1A1RAB9AMAPTNPC1 | |
| SCHEMBL3912803 | 0.84 | KDM4E (0.46) | KDM4EALDH1A1RAB9AMAPTNPC1 | |
| SCHEMBL3924819 | 0.84 | CNR2 (0.37) | DRD2DRD4 | |
| SCHEMBL3920606 | 0.84 | HIF1A (0.35) | — | |
| SCHEMBL3932724 | 0.83 | ALDH1A1 (0.35) | ALDH1A1POLBHRH3 | |
| SCHEMBL3936339 | 0.83 | EPHX2 (0.37) | DRD2DRD4KDM4EALDH1A1RAB9A |
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-2041093-A1 | PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES | Glaxo Group Limited (GB) | 2009-04-01 | — | — | EP | disclosed |
| EP-2029538-A1 | BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS | Glaxo Group Limited (GB) | 2009-03-04 | — | — | 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 |
| WO-2007144400-A1 | BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2007-12-21 | — | — | WO | disclosed |