Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 8/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 7/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20030418 | 0.94 | CNR1 (0.39) | CNR1KDM4EPTGDR2MEN1ALDH1A1 | |
| SCHEMBL20030967 | 0.87 | CNR1 (0.37) | CNR1KDM4EPTGDR2MEN1ALDH1A1 | |
| SCHEMBL19906245 | 0.86 | HDAC3 (0.37) | KDM4EPTGDR2MEN1ALDH1A1KMT2A | |
| SCHEMBL19906186 | 0.85 | KDM4E (0.42) | KDM4EPTGDR2SLC22A12MEN1ALDH1A1 | |
| SCHEMBL20030730 | 0.85 | CNR1 (0.36) | CNR1KDM4EPTGDR2MEN1ALDH1A1 | |
| SCHEMBL20030655 | 0.85 | CNR1 (0.36) | CNR1KDM4EPTGDR2MEN1ALDH1A1 | |
| SCHEMBL20030905 | 0.83 | KDM4E (0.35) | CNR1KDM4EPTGDR2MEN1ALDH1A1 | |
| SCHEMBL19906080 | 0.83 | CNR1 (0.35) | CNR1KDM4EPTGDR2SLC22A12MEN1 | |
| SCHEMBL15334059 | 0.83 | CYP3A4 (0.39) | CNR1 | |
| SCHEMBL20030417 | 0.83 | P2RX3 (0.36) | CNR1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3070081-B1 | BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | GILEAD SCIENCES INC (US) | 2018-02-28 | — | — | EP | disclosed |