Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19716546 | 0.82 | PLAU (0.54) | BCHEGAAHPGDNCEH1KMT2A | |
| SCHEMBL1720194 | 0.82 | ALDH1A1 (0.67) | BCHEGAAHPGDSMN1; SMN2KMT2A | |
| SCHEMBL8621389 | 0.82 | GAA (0.55) | BCHEGAAHPGDSMN1; SMN2KMT2A | |
| SCHEMBL21201600 | 0.80 | GAA (0.53) | BCHEGAAHPGDKMT2ACYP2C9 | |
| SCHEMBL29244564 | 0.80 | GAA (0.53) | BCHEGAAHPGDKMT2ACYP2C9 | |
| SCHEMBL1129046 | 0.80 | CYP2D6 (0.56) | BCHEGAAHPGDKMT2ACYP2C9 | |
| SCHEMBL2095021 | 0.80 | GAA (0.53) | BCHEGAAHPGDSMN1; SMN2KMT2A | |
| SCHEMBL25166809 | 0.79 | CYP1A2 (0.53) | BCHEGAASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL28053180 | 0.79 | MMP13 (0.55) | HPGDSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL17552096 | 0.78 | NPC1 (0.69) | GAAHPGDNCEH1KMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109136974-A | One kind (sp containing C2)-N key compound preparation method | 中国科学院上海有机化学研究所 | 2019-01-04 | — | — | CN | disclosed |
| CN-108135850-A | MODULAR COMPOSITIONS FOR SCAVENGING SOLUBLE BIOMOLECULES AND METHODS RELATED THERETO | 纳米提克斯有限责任公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-105849099-A | Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) | 达纳-法伯癌症研究所股份有限公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-105793262-A | Bicyclic alkyne derivatives and uses thereof | 新加坡科技研究局 | 2016-07-20 | — | — | CN | disclosed |