Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 7/20 | 0.47 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | BRD1 | O95696 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | BRPF3 | Q9ULD4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19033591 | 0.90 | DRD2 (0.51) | BRD4HTR6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10328995 | 0.80 | BRD4 (0.44) | BRD4HTR6TRIM24DRD2HTR2A | |
| SCHEMBL10328994 | 0.72 | DRD2 (0.45) | BRD4HTR6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19033527 | 0.71 | AKR1B1 (0.40) | CYP3A4CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL19033526 | 0.71 | AKR1B1 (0.36) | GAALMNASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL18071209 | 0.64 | BACE1 (0.61) | — | |
| SCHEMBL26932397 | 0.64 | SMN1; SMN2 (0.60) | BRD4HTR6GAAGFERAPOBEC3G | |
| SCHEMBL19033668 | 0.63 | BACE1 (0.30) | — | |
| SCHEMBL16771882 | 0.62 | BRD4 (0.87) | BRD4 | |
| SCHEMBL7577338 | 0.61 | PKM (0.69) | GAAGFERAPOBEC3GLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9687494-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-06-27 | — | — | US | disclosed |