Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.48 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6067715 | 0.89 | CYP2C19 (0.54) | CYP2C19EGFRGLATDP1HDAC1 | |
| SCHEMBL6693532 | 0.84 | CA12 (0.52) | CYP2C19MAPTALDH1A1HCAR2CYP2D6 | |
| SCHEMBL28748361 | 0.83 | CYP2C19 (0.67) | CYP2C19EGFRGLATDP1HDAC1 | |
| SCHEMBL8736402 | 0.82 | LCK (0.50) | CYP2C19MAOB | |
| SCHEMBL3508677 | 0.80 | THRB (0.59) | CYP2C19HDAC1LMNAHDAC3HDAC2 | |
| SCHEMBL10332365 | 0.79 | CYP2C19 (0.61) | CYP2C19EGFRGLATDP1HDAC1 | |
| SCHEMBL6067649 | 0.77 | MEN1 (0.50) | CYP2C19LMNAMAPTRECQLALDH1A1 | |
| SCHEMBL20346330 | 0.77 | MEN1 (0.50) | CYP2C19LMNAMAPTRECQLALDH1A1 | |
| SCHEMBL1618355 | 0.77 | CYP2C19 (0.58) | CYP2C19EGFRGLATDP1HDAC1 | |
| SCHEMBL23064568 | 0.76 | CYP2C19 (0.62) | CYP2C19EGFRGLATDP1HDAC1 |
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 |