Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 13/20 | 0.51 |
| ▸ | BCHE | P06276 | 10/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8863165 | 1.00 | ACHE (0.51) | ACHEBCHEOPRK1KDM4ECYP2D6 | |
| SCHEMBL8863164 | 1.00 | ACHE (0.51) | ACHEBCHEOPRK1KDM4ECYP2D6 | |
| Hydrochloric Acid SCHEMBL9537532 | 0.99 | ACHE (0.50) | ACHEBCHEOPRK1KDM4ECYP2D6 | |
| SCHEMBL9538917 | 0.83 | KDM4E (0.67) | OPRK1KDM4ECYP2D6MEN1CYP1A2 | |
| SCHEMBL8827823 | 0.83 | KDM4E (0.67) | OPRK1KDM4ECYP2D6MEN1CYP1A2 | |
| SCHEMBL8827828 | 0.83 | KDM4E (0.67) | OPRK1KDM4ECYP2D6MEN1CYP1A2 | |
| SCHEMBL9537558 | 0.83 | ACHE (0.71) | ACHEBCHEOPRK1KDM4ECYP2D6 | |
| SCHEMBL8827817 | 0.83 | ACHE (0.71) | ACHEBCHEOPRK1KDM4ECYP2D6 | |
| SCHEMBL8827811 | 0.83 | ACHE (0.71) | ACHEBCHEOPRK1KDM4ECYP2D6 | |
| SCHEMBL12083099 | 0.82 | ACHE (0.72) | ACHEBCHE |
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-5541216-A | Memory enhancing and analgsic 1,2,3,3A,8,8A-Hexahydro--3A, 8(And1,3A,8)-Di (and Tri) Methylpyrrolo(2,3-B Indoles | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5187165-A | Eseroline derivatives; cholinergic agents; antidepressants | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-02-16 | — | — | US | disclosed |