Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ESRRB | O95718 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15775091 | 0.90 | ALDH1A1 (0.42) | ALDH1A1KDM4ESIGMAR1TDP1 | |
| SCHEMBL28779145 | 0.86 | CHRM2 (0.42) | ALDH1A1SIGMAR1CHRM2CHRM4CHRM1 | |
| SCHEMBL15775094 | 0.85 | KEAP1 (0.38) | ALDH1A1KDM4EKEAP1NFE2L2PKM | |
| SCHEMBL18533362 | 0.83 | ACKR3 (0.43) | SIGMAR1ACKR3KEAP1NFE2L2STAT3 | |
| SCHEMBL15047573 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4ESIGMAR1TDP1 | |
| SCHEMBL18471605 | 0.79 | LMNA (0.43) | SIGMAR1ACKR3KEAP1NFE2L2STAT3 | |
| SCHEMBL26419615 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4ESIGMAR1TDP1 | |
| SCHEMBL25510325 | 0.78 | CACNA1H (0.46) | ALDH1A1KDM4ESIGMAR1TDP1 | |
| SCHEMBL1509845 | 0.78 | MEN1 (0.50) | SIGMAR1TDP1 | |
| SCHEMBL15775309 | 0.77 | ALB (0.37) | ALDH1A1KDM4ESIGMAR1TDP1 |
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-109320502-B | Neurotensin receptor ligands | 3B制药有限公司 | 2022-06-07 | — | — | CN | disclosed |