Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AGER | Q15109 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL10408730 | 0.68 | FDPS (0.51) | CYP3A4ALDH1A1MAPTKMT2AKDM4E | |
| SCHEMBL2336960 | 0.65 | CYP3A4 (0.69) | CYP2E1CYP3A4CYP2A6MAOAMAOB | |
| SCHEMBL4086997 | 0.64 | SLC6A2 (0.42) | CYP2E1CYP3A4CYP2A6MAPTKDM4E | |
| Ammonia Solution, Strong SCHEMBL28378980 | 0.64 | CYP3A4 (0.67) | CYP2E1CYP3A4CYP2A6MAOAMAOB | |
| Hydrochloric Acid SCHEMBL27290504 | 0.64 | CYP3A4 (0.67) | CYP2E1CYP3A4CYP2A6MAOAMAOB | |
| Benzene SCHEMBL18045485 | 0.63 | LPO (0.48) | CYP2E1CYP3A4CYP2A6ALDH1A1KMT2A | |
| Phenol SCHEMBL25285530 | 0.61 | TDP1 (0.42) | CYP2E1CYP3A4CYP2A6MAOAMAOB | |
| SCHEMBL81625 | 0.61 | LMNA (0.63) | CYP3A4ALDH1A1KMT2APOLBHSD17B10 | |
| SCHEMBL392779 | 0.61 | CYP11B1 (0.43) | CYP2E1CYP3A4CYP2A6MAOAMAOB | |
| Benzene SCHEMBL27902631 | 0.61 | LMNA (0.63) | CYP3A4ALDH1A1KMT2APOLBHSD17B10 |
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-116020367-A | Temperature-regulating color-changing microcapsule, preparation method thereof, temperature-regulating color-changing fabric and application thereof | 武汉中科先进材料科技有限公司 | 2023-04-28 | — | — | CN | disclosed |