Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7545826 | 1.00 | DRD2 (0.49) | DRD2DRD3ACHEOPRK1MAPT | |
| SCHEMBL7542678 | 0.99 | DRD2 (0.48) | DRD2DRD3ACHEOPRK1MAPT | |
| SCHEMBL7542681 | 0.99 | DRD2 (0.48) | DRD2DRD3ACHEOPRK1MAPT | |
| SCHEMBL7543689 | 0.91 | DRD2 (0.53) | DRD2DRD3ACHEOPRK1MAPT | |
| SCHEMBL7543685 | 0.91 | DRD2 (0.53) | DRD2DRD3ACHEOPRK1MAPT | |
| Hydrochloric Acid SCHEMBL9363989 | 0.81 | DRD2 (0.54) | DRD2DRD3ACHEOPRK1MAPT | |
| SCHEMBL7550002 | 0.81 | ACHE (0.55) | DRD2DRD3ACHEHSD17B10KDM4E | |
| SCHEMBL7549997 | 0.81 | ACHE (0.55) | DRD2DRD3ACHEHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL7543057 | 0.80 | ACHE (0.54) | DRD2DRD3ACHEHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL7543050 | 0.80 | ACHE (0.54) | DRD2DRD3ACHEHSD17B10KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0894787-B1 | 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES | KISSEI PHARMACEUTICAL (JP) | 2002-06-12 | — | — | EP | disclosed |
| US-6136852-A | 3,4-disubstituted phenylethanolaminotetralincarboxylic acid derivatives | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0894787-A1 | 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 1999-02-03 | — | — | EP | disclosed |