Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | RAC1 | P63000 | 2/20 | 0.46 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ACP1 | P24666 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30112574 | 0.86 | ALDH1A1 (0.51) | RAC1MEN1KMT2AHPGDACP1 | |
| SCHEMBL7823188 | 0.85 | ADORA3 (0.47) | RAC1MEN1KMT2AHPGDPOLB | |
| SCHEMBL30112644 | 0.83 | TP53 (0.48) | RAC1SQORMEN1KMT2AHPGD | |
| SCHEMBL27992753 | 0.83 | RAC1 (0.46) | RAC1MEN1KMT2AHPGDACP1 | |
| SCHEMBL30112525 | 0.81 | DHODH (0.44) | RAC1SQORMEN1KMT2AHPGD | |
| SCHEMBL19009532 | 0.81 | MEN1 (0.54) | RAC1MEN1KMT2AHPGDHTT | |
| SCHEMBL9218101 | 0.81 | CYP2A6 (0.50) | RAC1HPGDKDM4EALDH1A1TDP1 | |
| SCHEMBL21644727 | 0.81 | ADORA2A (0.50) | CYP19A1SQORHTTNPSR1ACP1 | |
| SCHEMBL30497936 | 0.81 | ADORA2A (0.50) | CYP19A1SQORHTTNPSR1ACP1 | |
| SCHEMBL4773258 | 0.80 | KDM4E (0.66) | RAC1MEN1KMT2AHPGDHTT |
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-113121437-B | Synthetic method of 1,3-disubstituted isoquinoline derivative | 浙江大学 | 2022-12-06 | — | — | CN | disclosed |