Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 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 | |
|---|---|---|---|---|
| SCHEMBL19906212 | 0.93 | KDM4E (0.38) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL19905960 | 0.90 | KDM4E (0.42) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL19905855 | 0.88 | KDM4E (0.39) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL19906279 | 0.87 | KDM4E (0.38) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL19906148 | 0.87 | PTGDR2 (0.39) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL20030481 | 0.84 | PTGDR2 (0.35) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL19906186 | 0.84 | KDM4E (0.42) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL17547135 | 0.84 | KDM4E (0.35) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL19905953 | 0.84 | KDM4E (0.42) | KDM4EPTGDR2ALDH1A1MEN1KMT2A | |
| SCHEMBL19906076 | 0.83 | KDM4E (0.37) | KDM4EPTGDR2ALDH1A1MEN1KMT2A |
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 |