Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 8/20 | 0.70 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.70 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.70 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.70 |
| ▸ | DRD2 | P14416 | 4/20 | 0.70 |
| ▸ | DRD3 | P35462 | 4/20 | 0.70 |
| ▸ | HTR1A | P08908 | 4/20 | 0.70 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.70 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.70 |
| ▸ | HTR2A | P28223 | 2/20 | 0.70 |
| ▸ | HTR2B | P41595 | 2/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.70 |
| ▸ | HTR7 | P34969 | 1/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.70 |
| ▸ | DRD1 | P21728 | 2/20 | 0.58 |
| ▸ | DRD4 | P21917 | 2/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9416163 | 0.94 | ADRB2 (0.65) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| Hydrochloric Acid SCHEMBL9123410 | 0.93 | ADRB2 (0.64) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| SCHEMBL9416157 | 0.88 | ADRA1A (0.54) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| Hydrochloric Acid SCHEMBL9123221 | 0.87 | ADRA1A (0.53) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| SCHEMBL9125314 | 0.86 | ADRB2 (0.73) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| SCHEMBL9416152 | 0.86 | ADRA1A (0.65) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| Hydrochloric Acid SCHEMBL9124065 | 0.85 | ADRA1A (0.64) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| SCHEMBL9632507 | 0.85 | ADRB2 (0.53) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| SCHEMBL19068575 | 0.82 | ADRA1A (0.81) | ADRA1AADRA1DADRA1BADRB2DRD2 | |
| Tamsulosin SCHEMBL53998 | 0.82 | ADRA1A (1.00) | ADRA1AADRA1DADRA1BADRB2DRD2 |
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-20170268028-A1 | ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS | INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT | 2017-09-21 | — | — | US | disclosed |
| US-9695451-B2 | Polynucleotides encoding engineered imine reductases | CODEXIS, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| EP-1891954-A2 | Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder | Takeda Pharmaceutical Company Limited (JP) | 2008-02-27 | — | — | EP | disclosed |