Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30589363 | 1.00 | CYP1A2 (0.35) | CYP1A2PDK2PNMTCYP1B1PRNP | |
| SCHEMBL25858228 | 0.85 | HKDC1 (0.38) | CYP1A2PDK2PRNPPGRALDH1A1 | |
| SCHEMBL29520133 | 0.82 | PDK2 (0.40) | PDK2PGRALDH1A1MAPK1MLNR | |
| SCHEMBL783072 | 0.82 | PDK2 (0.40) | PDK2PGRALDH1A1MAPK1MLNR | |
| SCHEMBL19824385 | 0.81 | MAOA (0.33) | PDK2KMT2A | |
| SCHEMBL19869565 | 0.80 | ALDH1A1 (0.40) | PDK2PGRALDH1A1MAPK1MLNR | |
| SCHEMBL23371555 | 0.79 | PDK2 (0.39) | CYP1A2PDK2CYP1B1MEN1KMT2A | |
| SCHEMBL25523278 | 0.79 | PDK2 (0.40) | CYP1A2PDK2PNMTPRNPPARP1 | |
| SCHEMBL19077639 | 0.78 | ALOX5 (0.31) | — | |
| SCHEMBL16062607 | 0.77 | MEN1 (0.45) | CYP1A2CYP1B1ALDH1A1MAPK1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113121363-B | Compound and application thereof | 北京鼎材科技有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-113121363-A | Compound and application thereof | 北京鼎材科技有限公司 | 2021-07-16 | — | — | CN | disclosed |