Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17420611 | 0.82 | CA1 (0.50) | MAPTCYP1A1CYP1B1MAOBCES2 | |
| SCHEMBL21501142 | 0.81 | CA1 (0.48) | MAPTCYP1A1CYP1B1MAOBCES2 | |
| SCHEMBL30087732 | 0.81 | CA1 (0.52) | MAPTCYP1A1CYP1B1MAOBCES2 | |
| SCHEMBL20325773 | 0.79 | MAPT (0.49) | MAPTCYP1A1CYP1B1MAOBCES2 | |
| SCHEMBL16147948 | 0.79 | CES2 (0.53) | MAPTCYP1A1CYP1B1MAOBCES2 | |
| SCHEMBL28652564 | 0.79 | CES2 (0.47) | MAPTMAOBCES2CES1LMNA | |
| SCHEMBL16158186 | 0.78 | MAPT (0.44) | MAPTCYP1A1CYP1B1MAOBCES2 | |
| SCHEMBL6450429 | 0.78 | PTGDR2 (0.51) | MAPTCYP1A1CYP1B1CA1CA2 | |
| SCHEMBL28657858 | 0.78 | CA2 (0.44) | MAPTCYP1A1CYP1B1CES2CES1 | |
| SCHEMBL28652562 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1HSD17B10KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113548936-A | Aroyldifluoromethyl olefin and preparation method thereof | 上海应用技术大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-112159389-A | Preparation method of difluoro-ketone carbonyl substituted nitrile compound | 上海应用技术大学 | 2021-01-01 | — | — | CN | disclosed |