Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.41 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14690678 | 0.83 | KEAP1 (0.48) | CYP3A4CYP2C9MCL1PLIN1LMNA | |
| SCHEMBL7625514 | 0.80 | MCL1 (0.43) | CYP3A4CYP2C9MCL1PLIN1LMNA | |
| SCHEMBL28169490 | 0.80 | CES1 (0.46) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL8553716 | 0.78 | KDM1A (0.46) | CYP3A4CYP2C9MCL1LMNAFBP1 | |
| SCHEMBL7975704 | 0.76 | RAB9A (0.42) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL10492917 | 0.76 | MCL1 (0.40) | CYP3A4CYP2C9MCL1LMNAFBP1 | |
| SCHEMBL4664314 | 0.74 | LMNA (0.54) | CES1CES2MCL1LMNAALDH1A1 | |
| SCHEMBL2146358 | 0.74 | CYP3A4 (0.55) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL5078732 | 0.73 | CYP3A4 (0.40) | CYP3A4CYP2C9MCL1PLIN1LMNA | |
| SCHEMBL2534838 | 0.73 | LMNA (0.61) | CES1CES2LMNAALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5059620-A | Antiarrhythmia agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-10-22 | — | — | US | claimed |
| CN-115490999-A | Baking cooking appliance adopting PET/PBT alloy material lining part | 杭州九阳小家电有限公司 | 2022-12-20 | — | — | CN | disclosed |