Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.51 |
| ▸ | CES1 | P23141 | 2/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6067635 | 0.87 | ALDH1A1 (0.57) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL6067677 | 0.84 | ALDH1A1 (0.54) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL6067672 | 0.84 | ALDH1A1 (0.54) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL23332556 | 0.80 | MAPT (0.53) | CES2CES1CYP19A1MEN1KMT2A | |
| SCHEMBL21734206 | 0.79 | ALDH1A1 (0.59) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9721402 | 0.79 | ALDH1A1 (0.59) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9721404 | 0.79 | ALDH1A1 (0.59) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL27941298 | 0.78 | LMNA (0.61) | CES2CES1CYP19A1MEN1KMT2A | |
| SCHEMBL28020441 | 0.77 | PPID (0.47) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL18591421 | 0.76 | ALDH1A1 (0.56) | CES2CES1CYP19A1MEN1KMT2A |
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 |