Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.45 |
| ▸ | FNTB | P49356 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30940459 | 0.98 | CYP3A4 (0.63) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL8517083 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL11878518 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL11878522 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| Potassium Ion SCHEMBL30940403 | 0.83 | CES1 (0.56) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL265774 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL367454 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL11401347 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL7923429 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL11876245 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9CES1CES2AKR1B1 |
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-118367119-A | Organic matter modified carbon-based negative electrode material and manufacturing method thereof | 贵州创德新能源科技有限公司 | 2024-07-19 | — | — | CN | claimed |
| CN-118367119-A | Organic matter modified carbon-based negative electrode material and manufacturing method thereof | 贵州创德新能源科技有限公司 | 2024-07-19 | — | — | CN | disclosed |
| US-5700621-A | COPOLYMER BINDER OF ACRYLAMIDE OR ALKYLACRYLAMIDE AND ACIDIC HYDROGEN ATOM CONTAINING UNIT DERIVED FROM SULFONIC, CARBOXYLIC, PHOSPHONIC, CARBOXIMIDES, SULFONAMIDES, SULFONIMIDES AND PHENOLS | AGFA-GEVAERT AG (DE) | 1997-12-23 | — | — | US | disclosed |