Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11066697 | 0.71 | MEN1 (0.41) | ALDH1A1LMNAMAPTCYP2C9TSHR | |
| SCHEMBL22959429 | 0.70 | SLC6A2 (0.48) | ALDH1A1LMNAMAPTCYP3A4CYP2C19 | |
| SCHEMBL7719567 | 0.70 | SLC6A3 (0.37) | LMNAMAPTOPRM1CHRM2CYP2D6 | |
| SCHEMBL28838088 | 0.70 | SLC6A3 (0.37) | LMNAMAPTOPRM1CHRM2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7941073 | 0.70 | — | — | |
| SCHEMBL9302592 | 0.69 | TYR (0.39) | LMNACYP2D6ADRA2CHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL8677321 | 0.67 | SLC6A2 (0.34) | ALDH1A1LMNAMAPTCHRM2CYP2D6 | |
| SCHEMBL12846240 | 0.67 | DPP4 (0.39) | ALDH1A1LMNACYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL8677325 | 0.67 | SLC6A2 (0.39) | LMNAMAPTCHRM2CYP2D6TSHR | |
| SCHEMBL27493077 | 0.67 | CHRNA7 (0.35) | ALDH1A1MAPTCYP2C9HTR2AMEN1 |
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-2021022932-A1 | α-SUBSTITUTED PHENYL STRUCTURE-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND DISINFECTANT | 郑州大学 | 2021-02-11 | — | — | WO | disclosed |