Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 11/20 | 0.56 |
| ▸ | CES1 | P23141 | 10/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529813 | 1.00 | CES2 (0.56) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8119225 | 0.98 | CES2 (0.54) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8115299 | 0.98 | CES2 (0.54) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8113982 | 0.98 | CES2 (0.54) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL25121358 | 0.84 | CES2 (0.54) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8119231 | 0.81 | CES2 (0.50) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| Lithium Ion SCHEMBL8113989 | 0.81 | CES2 (0.50) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9870976 | 0.81 | CES2 (0.58) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8113930 | 0.81 | CES2 (0.50) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9870973 | 0.81 | CES2 (0.58) | CES2CES1CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993002172-A1 | MULTI-COMPONENT WASHING-AGENT SYSTEM | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-02-04 | — | — | WO | claimed |
| WO-1993002172-A1 | MULTI-COMPONENT WASHING-AGENT SYSTEM | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-02-04 | — | — | WO | disclosed |