Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23339039 | 0.94 | HIF1A (0.69) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| SCHEMBL9346029 | 0.86 | ALDH1A1 (0.60) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| Hydrochloric Acid SCHEMBL9348690 | 0.85 | ADRB2 (0.61) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| Hydrochloric Acid SCHEMBL9348680 | 0.82 | ADRB2 (0.58) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| SCHEMBL23318966 | 0.80 | HIF1A (0.72) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| SCHEMBL3696537 | 0.80 | BCHE (0.68) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| SCHEMBL23337952 | 0.79 | HIF1A (0.71) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| SCHEMBL20142145 | 0.79 | HIF1A (0.71) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| SCHEMBL20142428 | 0.78 | HIF1A (0.69) | HIF1AALDH1A1CYP3A4LMNAADRB2 | |
| Dibutepinephrine SCHEMBL20141839 | 0.78 | HIF1A (0.69) | HIF1AALDH1A1CYP3A4LMNAADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021087359-A1 | PRODRUG COMPOSITIONS AND METHODS OF TREATMENT | AQUESTIVE THERAPEUTICS, INC. (US) | 2021-05-06 | — | — | WO | disclosed |