Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | DGKA | P23743 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6067616 | 0.88 | ALDH1A1 (0.39) | CES1CES2ALDH1A1TSHRCYP1A2 | |
| SCHEMBL9692307 | 0.82 | CES1 (0.38) | CES1CES2ALDH1A1TP53TSHR | |
| SCHEMBL21518793 | 0.79 | SOAT1 (0.44) | ALDH1A1TSHRLMNAHSD17B10HPGD | |
| SCHEMBL6067596 | 0.77 | CES1 (0.44) | CES1CES2ALDH1A1TP53TSHR | |
| SCHEMBL10861271 | 0.74 | ALDH1A1 (0.43) | CES1CES2ALDH1A1TP53LMNA | |
| SCHEMBL26657856 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP1A2LMNAHPGD | |
| SCHEMBL6560551 | 0.73 | CES2 (0.50) | CES1CES2DGKAFAAH | |
| SCHEMBL28436056 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNAHSD17B10HPGD | |
| SCHEMBL27635596 | 0.72 | CES1 (0.56) | CES1CES2ALDH1A1TP53TSHR | |
| SCHEMBL425250 | 0.72 | ALDH1A1 (0.56) | ALDH1A1TSHRLMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006100606-A2 | PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION | WARNER-LAMBERT COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |