Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 10/20 | 0.49 |
| ▸ | CNR1 | P21554 | 5/20 | 0.46 |
| ▸ | HTR1A | P08908 | 7/20 | 0.42 |
| ▸ | HTR1D | P28221 | 7/20 | 0.42 |
| ▸ | HTR1B | P28222 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10710070 | 1.00 | CNR2 (0.49) | CNR2CNR1HTR1AHTR1DHTR1B | |
| SCHEMBL10708963 | 0.99 | CNR2 (0.47) | CNR2CNR1HTR1AHTR1DHTR1B | |
| SCHEMBL10709360 | 0.99 | CNR2 (0.47) | CNR2CNR1HTR1AHTR1DHTR1B | |
| SCHEMBL10707901 | 0.97 | CNR2 (0.46) | CNR2CNR1HTR1AHTR1DHTR1B | |
| SCHEMBL10709101 | 0.95 | CNR2 (0.44) | CNR2CNR1HTR1AHTR1DHTR1B | |
| SCHEMBL10709917 | 0.95 | CNR2 (0.49) | CNR2CNR1HTR1AHTR1DHTR1B | |
| SCHEMBL9182936 | 0.92 | CNR2 (0.52) | CNR2CNR1 | |
| SCHEMBL9182942 | 0.92 | CNR2 (0.52) | CNR2CNR1 | |
| SCHEMBL9190098 | 0.92 | CNR2 (0.52) | CNR2CNR1 | |
| SCHEMBL10712478 | 0.92 | CNR2 (0.42) | CNR2CNR1HTR1AHTR1DHTR1B |
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-0133489-B1 | NEMATIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1988-01-20 | — | — | EP | disclosed |
| US-4637897-A | Nematic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-01-20 | — | — | US | disclosed |
| EP-0133489-A2 | Nematic compounds | MERCK PATENT GmbH (DE) | 1985-02-27 | — | — | EP | disclosed |