Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 2/20 | 0.31 |
| ▸ | CPT1B | Q92523 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19906111 | 0.92 | PTGER3 (0.38) | KDM4EMEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL19906107 | 0.90 | CPT1A (0.32) | KDM4EMEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL19905990 | 0.89 | GRM5 (0.39) | KDM4EMEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL19906136 | 0.88 | GRM5 (0.36) | KDM4EMEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL15342612 | 0.84 | CYP3A4 (0.36) | CYP3A4 | |
| SCHEMBL19906202 | 0.83 | PTGER3 (0.40) | KDM4EMEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL15342206 | 0.83 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL19906108 | 0.83 | CPT1A (0.35) | KDM4EMEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL19906022 | 0.81 | PTGER3 (0.37) | KDM4EMEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL19905938 | 0.81 | PTGDR2 (0.34) | KDM4EMEN1ALDH1A1KMT2APTGDR2 |
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 |