Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.63 |
| ▸ | CES1 | P23141 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10816398 | 1.00 | CES2 (0.63) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL10816402 | 1.00 | CES2 (0.63) | CES2CES1ALDH1A1POLBHPGD | |
| Thiosemicarbazide SCHEMBL10844154 | 0.86 | ALDH1A1 (0.48) | CES2CES1ALDH1A1POLBHPGD | |
| Thiosemicarbazide SCHEMBL10844159 | 0.86 | ALDH1A1 (0.48) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL1596844 | 0.79 | CES2 (0.74) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL6317444 | 0.79 | CES2 (1.00) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL31544074 | 0.79 | CES2 (1.00) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL2156567 | 0.79 | CES2 (1.00) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL11526246 | 0.78 | SMN1; SMN2 (0.43) | ALDH1A1HPGDERCC5FEN1 | |
| SCHEMBL11526244 | 0.78 | SMN1; SMN2 (0.43) | ALDH1A1HPGDERCC5FEN1 |
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-4160834-A | INSECTICIDES | ELI LILLY AND COMPANY (US) | 1979-07-10 | — | — | US | disclosed |