Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8668148 | 0.78 | MEN1 (0.58) | ACHEADRB2ADRB1CYP2D6CYP1A2 | |
| SCHEMBL11431426 | 0.78 | MEN1 (0.58) | ACHEADRB2ADRB1CYP2D6CYP1A2 | |
| SCHEMBL11246142 | 0.77 | ACHE (0.45) | ACHEKDM4EPOLBADRB2ADRB1 | |
| SCHEMBL11821380 | 0.77 | ACHE (0.45) | ACHEKDM4EPOLBADRB2ADRB1 | |
| SCHEMBL11547925 | 0.74 | ADRB2 (0.50) | ACHEADRB2ADRB1ALDH1A1ADRB3 | |
| SCHEMBL11349057 | 0.73 | ACHE (0.53) | ACHEKDM4EPOLBADRB2ADRB1 | |
| SCHEMBL11155879 | 0.72 | ADRB2 (0.61) | ADRB2ADRB1CYP2D6HTR1ALMNA | |
| SCHEMBL10818774 | 0.71 | ACHE (0.41) | ACHEKDM4EPOLBALDH1A1TSHR | |
| SCHEMBL11882631 | 0.71 | HTR1A (0.62) | ACHEKDM4EADRB2ADRB1CYP2D6 | |
| Fumaric Acid SCHEMBL11822049 | 0.70 | KDM4E (0.43) | ACHEKDM4EPOLBADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4391980-A | FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1983-07-05 | — | — | US | disclosed |
| US-4294966-A | SALT FORMATION | CIBA-GEIGY CORPORATION (US) | 1981-10-13 | — | — | US | disclosed |