Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 16/20 | 0.50 |
| ▸ | BCHE | P06276 | 10/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9207707 | 1.00 | ACHE (0.50) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| SCHEMBL2598854 | 0.93 | ACHE (0.50) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| SCHEMBL2598853 | 0.93 | ACHE (0.50) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8827744 | 0.92 | ACHE (0.49) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8827752 | 0.92 | ACHE (0.49) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| SCHEMBL9207689 | 0.92 | ACHE (0.51) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| SCHEMBL9537564 | 0.87 | ACHE (0.51) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8827794 | 0.87 | ACHE (0.49) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8827796 | 0.87 | ACHE (0.49) | ACHEBCHEKDM4ECYP2D6ALDH1A1 | |
| SCHEMBL9206289 | 0.86 | ACHE (0.48) | ACHEBCHEKDM4ECYP2D6ALDH1A1 |
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-0389984-B1 | Carbonate derivatives of Eseroline, a process for their preparation and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1995-06-21 | — | — | EP | disclosed |
| US-4971992-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-11-20 | — | — | US | disclosed |
| EP-0389984-A1 | Carbonate derivatives of Eseroline, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1990-10-03 | — | — | EP | disclosed |