Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | SLC13A5 | Q86YT5 | 7/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1857521 | 0.88 | CYP3A4 (0.57) | ALDH1A1KDM4ETSHRCYP3A4ATM | |
| SCHEMBL536804 | 0.88 | ALDH1A1 (0.42) | ALDH1A1KDM4ETSHRCYP3A4ATM | |
| SCHEMBL536457 | 0.87 | ALDH1A1 (0.41) | ALDH1A1KDM4ETSHRCYP3A4ATM | |
| SCHEMBL536599 | 0.86 | TSHR (0.44) | ALDH1A1KDM4ETSHRCYP3A4ATM | |
| SCHEMBL427079 | 0.86 | TSHR (0.44) | ALDH1A1KDM4ETSHRCYP3A4ATM | |
| Oxalic Acid SCHEMBL29914252 | 0.86 | CYP3A4 (0.55) | ALDH1A1KDM4ETSHRCYP3A4ATM | |
| SCHEMBL537042 | 0.86 | ALDH1A1 (0.40) | ALDH1A1KDM4ETSHRCYP3A4ATM | |
| SCHEMBL15512778 | 0.85 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRLMNAMAPT | |
| SCHEMBL28496264 | 0.85 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRLMNAMAPT | |
| SCHEMBL423298 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRCYP3A4ATM |
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-112041383-A | Plasticizer composition and resin composition comprising the same | 株式会社LG化学 | 2020-12-04 | — | — | CN | disclosed |