Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL31238799 | 0.91 | KMT2A (0.47) | CYP2D6LMNAMAPK1KMT2AALDH1A1 | |
| SCHEMBL27780418 | 0.88 | CYP2D6 (0.40) | CYP2D6SRCLMNAMAPK1KMT2A | |
| SCHEMBL30457634 | 0.85 | CTSK (0.40) | KMT2AALDH1A1CYP3A4TDP1L3MBTL1 | |
| SCHEMBL18367774 | 0.85 | ALDH1A1 (0.50) | CYP2D6SRCLMNAMAPK1KMT2A | |
| Carfimate SCHEMBL1648782 | 0.85 | CYP2D6 (0.44) | CYP2D6SRCLMNAMAPK1KMT2A | |
| SCHEMBL27674108 | 0.83 | TSHR (0.52) | CYP2D6LMNAKMT2ACES2CES1 | |
| Carfimate SCHEMBL15525739 | 0.83 | CYP2D6 (0.43) | CYP2D6SRCLMNAMAPK1KMT2A | |
| SCHEMBL28648503 | 0.79 | HPGD (0.41) | CYP2D6SRCKMT2AALDH1A1CYP3A4 | |
| SCHEMBL29040564 | 0.79 | UGT2B7 (0.43) | KMT2ACES2CES1TDP1L3MBTL1 | |
| SCHEMBL77245 | 0.76 | DPP4 (0.36) | CYP2D6LMNACYP3A4CYP1A2 |
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-116444370-A | Preparation method of alpha, beta-unsaturated carboxylic acid derivative | 大连理工常熟研究院有限公司 | 2023-07-18 | — | — | CN | disclosed |