Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | RNASEH1 | O60930 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11563800 | 0.89 | BRD4 (0.43) | BRD4CREBBPGAARNASEH1NPC1 | |
| SCHEMBL11562013 | 0.81 | GAA (0.42) | GRIN2BGAARNASEH1GRIN1PKM | |
| SCHEMBL11561192 | 0.81 | PARP1 (0.41) | ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11563049 | 0.79 | DHODH (0.50) | GRIN2B | |
| SCHEMBL10411536 | 0.76 | GRIN2B (0.49) | HTR6GRIN2BBRD4CREBBPGAA | |
| SCHEMBL6759191 | 0.72 | GAA (0.54) | HTR6GRIN2BBRD4CREBBPGAA | |
| SCHEMBL11563802 | 0.71 | HDAC6 (0.43) | GAARNASEH1NPC1ALDH1A1RAB9A | |
| SCHEMBL11564371 | 0.70 | PARP1 (0.51) | GAANPC1ALDH1A1RAB9APKM | |
| SCHEMBL6951804 | 0.69 | HTR6 (0.52) | HTR6GRIN2BBRD4CREBBPGAA | |
| SCHEMBL6542830 | 0.68 | GAA (0.60) | HTR6GRIN2BGAAGRIN1NPC1 |
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-4176184-A | CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-11-27 | — | — | US | disclosed |