Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10647221 | 0.88 | MAP4K4 (0.39) | ALDH1A1SMN1; SMN2KMT2AMEN1AVPR1A | |
| SCHEMBL10671837 | 0.87 | BRD4 (0.46) | ALDH1A1KMT2AMEN1AVPR1ABRD4 | |
| Hydrochloric Acid SCHEMBL10649610 | 0.86 | MAP4K4 (0.38) | ALDH1A1SMN1; SMN2KMT2AMEN1AVPR1A | |
| SCHEMBL10668329 | 0.86 | BRD4 (0.45) | ALDH1A1SMN1; SMN2HSD17B10AVPR1ABRD4 | |
| SCHEMBL10671525 | 0.86 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2KMT2AMEN1AVPR1A | |
| SCHEMBL10650122 | 0.85 | KDM4E (0.50) | ALDH1A1SMN1; SMN2KMT2AMEN1AVPR1A | |
| SCHEMBL10648058 | 0.85 | MC4R (0.59) | ALDH1A1KMT2AMEN1HSD17B10AVPR1A | |
| SCHEMBL10646620 | 0.84 | SIGMAR1 (0.54) | ALDH1A1KMT2AMEN1HSD17B10CYP2D6 | |
| SCHEMBL10671068 | 0.83 | HRH3 (0.44) | ALDH1A1AVPR1ABRD4MC4RDRD2 | |
| SCHEMBL10260907 | 0.80 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4761415-A | HYPOTENSIVE | SMITHKLINE BECKMAN CORPORATION (US) | 1988-08-02 | — | — | US | claimed |
| US-4761415-A | HYPOTENSIVE | SMITHKLINE BECKMAN CORPORATION (US) | 1988-08-02 | — | — | US | disclosed |
| EP-0261804-A1 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1988-03-30 | — | — | EP | disclosed |