Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902448 | 0.93 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1MAPTXDH | |
| SCHEMBL9793690 | 0.85 | MAPT (0.57) | AKR1C3AKR1C2AKR1C1MAPTXDH | |
| SCHEMBL20625241 | 0.84 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1MAPTXDH | |
| SCHEMBL8900774 | 0.81 | PDGFRB (0.45) | AKR1C3AKR1C2AKR1C1MAPTALDH1A1 | |
| SCHEMBL13579888 | 0.81 | TSHR (0.55) | MAPTLMNAS1PR3CYP3A4KMT2A | |
| SCHEMBL12361178 | 0.80 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1C1MAPTXDH | |
| SCHEMBL1645081 | 0.80 | TSHR (0.53) | AKR1C3AKR1C2AKR1C1MAPTKDM4E | |
| SCHEMBL7006941 | 0.79 | HTT (0.54) | MAPTKDM4EGAANPC1LMNA | |
| SCHEMBL8347090 | 0.79 | PLA2G4B (0.51) | AKR1C3AKR1C2AKR1C1MAPTPLA2G4B | |
| SCHEMBL8178631 | 0.79 | PLA2G4B (0.51) | AKR1C3AKR1C2AKR1C1MAPTPLA2G4B |
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 |
|---|---|---|---|---|---|---|---|
| US-5686482-A | DOPAMINE RECEPTOR ANTAGONIST | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-11-11 | — | — | US | disclosed |
| EP-0757985-A1 | N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1997-02-12 | — | — | EP | disclosed |