Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6067580 | 0.81 | ALDH1A1 (0.53) | MEN1KMT2AHDAC8HDAC6L3MBTL1 | |
| SCHEMBL6067647 | 0.80 | MMP8 (0.51) | CES1CES2AKR1B1L3MBTL1TSHR | |
| SCHEMBL10971735 | 0.79 | CES1 (0.44) | CES1CES2AKR1B1MEN1KMT2A | |
| Acetic Acid SCHEMBL5929108 | 0.78 | CES1 (0.45) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL6067608 | 0.76 | ALDH1A1 (0.48) | L3MBTL1TSHRMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL1237082 | 0.76 | SLC6A2 (0.48) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL27781004 | 0.76 | CES1 (0.53) | CES1CES2AKR1B1MEN1KMT2A | |
| Phenylacetic Acid SCHEMBL8892479 | 0.74 | AKR1B1 (0.85) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL2730444 | 0.74 | SLC6A2 (0.47) | CES1CES2AKR1B1MEN1KMT2A | |
| Water SCHEMBL11134065 | 0.74 | SLC6A2 (0.47) | CES1CES2AKR1B1MEN1KMT2A |
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-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 | claimed |
| 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 |