Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10483834 | 0.82 | KDM4E (0.56) | ACHEKDM4EATMTSHRTAAR1 | |
| Hydrochloric Acid SCHEMBL16115113 | 0.81 | KDM4E (0.54) | KDM4EATMTSHRTAAR1MAPK1 | |
| SCHEMBL3059076 | 0.79 | ACHE (0.68) | ACHENCEH1TAAR1MEN1KMT2A | |
| SCHEMBL7441616 | 0.78 | ADRB2 (0.69) | ACHEKDM4EATMTSHRTAAR1 | |
| SCHEMBL9404992 | 0.78 | KDM4E (0.51) | ACHEKDM4EATMTSHRTAAR1 | |
| SCHEMBL9404857 | 0.77 | ALOX15 (0.67) | ACHEKDM4EATMTSHRTAAR1 | |
| SCHEMBL11333680 | 0.77 | DRD1 (0.50) | ACHEKDM4EATMTSHRTAAR1 | |
| SCHEMBL9404786 | 0.77 | ALOX15 (0.68) | ACHEKDM4EATMTSHRTAAR1 | |
| Hydrochloric Acid SCHEMBL9404892 | 0.77 | LMNA (0.50) | ACHEKDM4EATMTSHRTAAR1 | |
| Hydrochloric Acid SCHEMBL9404962 | 0.77 | ADRA2A (0.68) | ACHEKDM4EATMTSHRTAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115322109-A | Preparation method of dobutamine hydrochloride suitable for industrial production | 安徽恒星制药有限公司 | 2022-11-11 | — | — | CN | claimed |
| CN-115322109-A | Preparation method of dobutamine hydrochloride suitable for industrial production | 安徽恒星制药有限公司 | 2022-11-11 | — | — | CN | disclosed |