Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9562376 | 0.92 | CA2 (0.52) | CA1CA2CHRM1AKR1A1CHRM3 | |
| Valpromide SCHEMBL35392 | 0.84 | CA2 (0.58) | CA1CA2CHRM1AKR1A1CHRM3 | |
| SCHEMBL27343088 | 0.83 | CA1 (0.45) | CA1CA2CHRM1AKR1A1CHRM3 | |
| Valpromide SCHEMBL28307837 | 0.82 | CA2 (0.56) | CA1CA2CHRM1AKR1A1CHRM3 | |
| Valpromide SCHEMBL30601110 | 0.82 | CA2 (0.56) | CA1CA2CHRM1AKR1A1CHRM3 | |
| Valpromide SCHEMBL3020937 | 0.82 | CA2 (0.56) | CA1CA2CHRM1AKR1A1CHRM3 | |
| SCHEMBL3904508 | 0.81 | CHRM1 (0.70) | CA2CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL25958554 | 0.80 | CA1 (0.42) | CA1CA2NOS2 | |
| SCHEMBL27571531 | 0.78 | CA2 (0.48) | CA1CA2CHRM1AKR1A1CHRM3 | |
| SCHEMBL3905597 | 0.78 | NFKB1 (0.72) | CA1CA2CHRM1AKR1A1CHRM3 |
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-114174294-A | Novel compounds for inhibiting JANUS kinase 1 | 人类制药有限公司 | 2022-03-11 | — | — | CN | disclosed |