Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401823 | 0.91 | KDM4E (0.42) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL9401850 | 0.87 | MCHR1 (0.38) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL9663400 | 0.87 | MCHR1 (0.38) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL9664041 | 0.87 | NR1I2 (0.37) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL9401745 | 0.86 | NPC1 (0.39) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL11982878 | 0.84 | CYP3A4 (0.49) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL9318482 | 0.84 | CYP3A4 (0.49) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL11982876 | 0.84 | CYP3A4 (0.49) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL9662311 | 0.83 | SIRT2 (0.34) | CYP3A4TSHRCYP1A2CYP2D6NR1I2 | |
| SCHEMBL9318898 | 0.83 | ALDH1A1 (0.37) | LMNAKDM4EGAAHSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5332748-A | Antiischemic, antianoxic | ROUSSEL-UCLAF (FR) | 1994-07-26 | — | — | US | disclosed |
| US-5093337-A | SUBSTITUTED DERIVATIVES OF 20,21-DINOREBURNAMENINE, THEIR USE AS MEDICAMENTS AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL UCLAF (FR) | 1992-03-03 | — | — | US | disclosed |
| EP-0317427-A1 | Substituted derivatives of 20,21-dinoreburnamenine, process for their preparation and intermediates obtained in this way, their use as medicines, and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1989-05-24 | — | — | EP | disclosed |