Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | C1S | P09871 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 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 | |
|---|---|---|---|---|
| SCHEMBL28709442 | 0.79 | TPMT (0.46) | TPMTHCAR1HPGDKMT2AMEN1 | |
| SCHEMBL5380374 | 0.73 | TPMT (0.54) | TPMTHCAR1HPGDKMT2AMEN1 | |
| SCHEMBL28709440 | 0.71 | TPMT (0.52) | TPMTHCAR1HPGDKMT2AMEN1 | |
| SCHEMBL11520841 | 0.70 | TPMT (0.56) | TPMTHCAR1HPGDKMT2AMEN1 | |
| SCHEMBL15083105 | 0.67 | TPMT (0.52) | TPMTHCAR1HPGDKMT2AMEN1 | |
| SCHEMBL16305559 | 0.66 | TPMT (0.65) | TPMTHCAR1HPGDPRSS1PRSS2 | |
| SCHEMBL7937175 | 0.66 | TPMT (0.65) | TPMTHCAR1HPGDKMT2APRSS1 | |
| SCHEMBL2212388 | 0.66 | TPMT (0.56) | TPMTHCAR1HPGDKMT2AMEN1 | |
| SCHEMBL31054325 | 0.65 | MAPT (0.65) | TPMTHPGDKMT2AMEN1NR1I2 | |
| SCHEMBL502202 | 0.64 | TPMT (0.62) | TPMTHCAR1HPGDKMT2APRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109912503-B | Synthetic method of 2, 3-diacyl quinoline compound | 江南大学 | 2022-04-08 | — | — | CN | disclosed |