Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 5/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8372909 | 0.87 | GPR84 (0.49) | CPA1GPR84LMNAALDH1A1 | |
| SCHEMBL6839886 | 0.81 | TSHR (0.43) | CPA1TSHRCYP3A4NFKB1NPSR1 | |
| SCHEMBL4321183 | 0.80 | CPA1 (0.33) | CPA1TSHRCYP3A4NFKB1NPSR1 | |
| SCHEMBL1664773 | 0.79 | MAPT (0.38) | CPA1CHRM1TDP1TSHRCYP3A4 | |
| SCHEMBL967149 | 0.79 | ADRA1A (0.48) | GPR84ADRA1ACHRM1AKR1A1CHRM3 | |
| SCHEMBL1335604 | 0.79 | ADRA1A (0.48) | GPR84ADRA1ACHRM1AKR1A1CHRM3 | |
| SCHEMBL27373315 | 0.77 | TSHR (0.39) | CPA1TDP1TSHRCYP3A4NFKB1 | |
| SCHEMBL1410060 | 0.77 | CPA1 (0.56) | CPA1ADRA1AMEN1LMNABLM | |
| SCHEMBL1117046 | 0.77 | CPA1 (0.56) | CPA1ADRA1AMEN1LMNABLM | |
| SCHEMBL1410324 | 0.77 | CPA1 (0.56) | CPA1ADRA1AMEN1LMNABLM |
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-2009087650-A2 | A NOVEL PROCESS FOR SYNTHESIS OF PREGABALIN FROM SUBSTITUTED CYCLOPROPANE INTERMEDIATE AND A PROCESS FOR ENZYMATIC RESOLUTION OF RACEMIC PREGABALIN | V.B. MEDICARE PVT. LTD. (IN) | 2009-07-16 | — | — | WO | disclosed |