Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL21137492 | 0.80 | LMNA (0.35) | ALDH1A1TSHRCA1CA2CA7 | |
| SCHEMBL11320412 | 0.79 | GABRR1 (0.40) | TSHRCA1CA2CA7CA14 | |
| SCHEMBL18013194 | 0.78 | CA1 (0.32) | CA1CA2CA7CA14 | |
| SCHEMBL19201830 | 0.76 | CTSK (0.35) | KMT2A | |
| SCHEMBL15339726 | 0.76 | NLRP3 (0.36) | ALDH1A1TSHRKMT2AHSD17B10GAA | |
| SCHEMBL16017644 | 0.76 | GABRR1 (0.50) | CYP1A2PMP22 | |
| SCHEMBL12386566 | 0.76 | GABRR1 (0.50) | CYP1A2PMP22 | |
| SCHEMBL7805773 | 0.76 | NLRP3 (0.36) | ALDH1A1TSHRKMT2AHSD17B10GAA | |
| SCHEMBL12386565 | 0.75 | CA14 (0.42) | ALDH1A1CA1CA2CA7CA14 | |
| SCHEMBL8246574 | 0.73 | BLM (0.40) | TSHRCA1HSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019114666-A1 | BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-06-20 | — | — | WO | disclosed |