Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404598 | 1.00 | ADRA2A (0.51) | ADRA2ACYP19A1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL8404596 | 0.84 | CYP19A1 (0.41) | ADRA2ACYP19A1MAPTALDH1A1GAA | |
| SCHEMBL23005350 | 0.81 | CYP3A4 (0.42) | ADRA2AMAPTALDH1A1RAB9AKDM4E | |
| SCHEMBL30545231 | 0.81 | FABP6 (0.42) | ADRA2ACYP19A1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL27939196 | 0.77 | ADRA2A (0.46) | ADRA2ACYP19A1MAPTALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL15818429 | 0.75 | ADRA2A (0.45) | ADRA2ACYP19A1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL294470 | 0.75 | PKM (0.42) | ADRA2ACYP19A1MAPTPGRKMT2A | |
| SCHEMBL29474944 | 0.75 | PKM (0.42) | ADRA2ACYP19A1MAPTPGRKMT2A | |
| SCHEMBL20040487 | 0.74 | ADRA2A (0.38) | ADRA2ACYP19A1MAPTALDH1A1PGR | |
| SCHEMBL3263897 | 0.73 | PKM (0.41) | ADRA2ACYP19A1MAPTPGRKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024253-A | Preparation method of medicinal thymol specific impurity | 江西阿尔法高科药业有限公司 | 2023-11-10 | — | — | CN | claimed |
| CN-117024253-A | Preparation method of medicinal thymol specific impurity | 江西阿尔法高科药业有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-117024253-A | Preparation method of medicinal thymol specific impurity | 江西阿尔法高科药业有限公司 | 2023-11-10 | — | — | CN | disclosed |