Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11706142 | 1.00 | CES2 (0.38) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL9275452 | 0.78 | CES1 (0.44) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL20534688 | 0.78 | CES1 (0.48) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL9292426 | 0.74 | CES1 (0.44) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL10344304 | 0.72 | — | — | |
| SCHEMBL4824431 | 0.72 | CES1 (0.48) | CES2CES1AKR1B1ALDH1A1CYP3A4 | |
| SCHEMBL5071007 | 0.70 | CES1 (0.60) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL28451528 | 0.69 | CES1 (0.40) | CES2CES1AKR1B1TP53TSHR | |
| SCHEMBL28067062 | 0.69 | CES1 (0.45) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL22607724 | 0.69 | CES1 (0.50) | CES2CES1AKR1B1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4053536-A | CONTACTING WITH MOLYBDENUM B-DIKETONATES OR CARBOXYLATES | PHILLIPS PETROLEUM COMPANY (US) | 1977-10-11 | — | — | US | disclosed |