Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | QPCT | Q16769 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 5/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL29183247 | 0.92 | CYP2C19 (0.48) | CYP2C19TSHRACHECNR2NR1H2 | |
| SCHEMBL13539183 | 0.86 | CYP2C19 (0.79) | CYP2C19TSHRQPCTCNR2CNR1 | |
| SCHEMBL29183246 | 0.84 | CYP1A2 (0.44) | CYP2C19ACHENR1H2NR1H3CYP2D6 | |
| SCHEMBL10296030 | 0.83 | CYP2C19 (0.63) | CYP2C19TSHRACHERAB9ACNR2 | |
| SCHEMBL29183253 | 0.81 | MEN1 (0.49) | QPCTNPC1MAPTRAB9ACNR2 | |
| SCHEMBL4403051 | 0.80 | CYP2C19 (0.70) | CYP2C19QPCTCNR2CNR1KCNH2 | |
| SCHEMBL24327379 | 0.80 | KIF11 (0.50) | CYP2C19ACHENR1H2NR1H3CYP2D6 | |
| SCHEMBL5182360 | 0.77 | NR1H2 (0.38) | CYP2C19ACHENR1H2NR1H3CYP2D6 | |
| SCHEMBL11781726 | 0.77 | CYP2C19 (0.66) | CYP2C19QPCTCNR2CNR1 | |
| SCHEMBL4402212 | 0.76 | CYP2C19 (0.64) | CYP2C19TSHRCNR2CNR1 |
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-117659237-A | Supported alpha-diimine nickel catalyst and preparation method and application thereof | 合肥中科科乐新材料有限责任公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-117658851-A | Alpha-diimine ligand, alpha-diimine nickel coordination compound, preparation method and application | 合肥中科科乐新材料有限责任公司 | 2024-03-08 | — | — | CN | disclosed |