Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | LIG1 | P18858 | 1/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | FADS1 | O60427 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30012222 | 0.84 | CA1 (0.50) | ALDH1A1HSD17B10TSHRCYP3A4LIG1 | |
| SCHEMBL29035769 | 0.83 | CA1 (0.49) | ALDH1A1HSD17B10TSHRCYP3A4LIG1 | |
| SCHEMBL31247461 | 0.83 | CA1 (0.49) | ALDH1A1HSD17B10TSHRCYP3A4LIG1 | |
| SCHEMBL1558090 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRCFTRKDM4E | |
| SCHEMBL5318792 | 0.78 | NPC1 (0.59) | ALDH1A1HSD17B10CYP3A4LIG1HPGD | |
| SCHEMBL143432 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HSD17B10TSHRCYP3A4CFTR | |
| SCHEMBL10785014 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HSD17B10TSHRCYP3A4CFTR | |
| SCHEMBL759012 | 0.77 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRCYP3A4LIG1 | |
| SCHEMBL1561753 | 0.77 | HPGD (0.66) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL3636008 | 0.75 | NPC1 (0.65) | ALDH1A1HSD17B10TSHRCYP3A4CFTR |
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-6274383-B1 | REACTING AN AMINO BOUND TO A SOLID SUPPORT WITH AN ISATOIC ANHYDRIDE TO FORM A 2-AMINOBENZAMIDE BOUND TO THE SUPPORT, AND THEN REACTING WITH ALDEHYDE USING A LEWIS ACID CATALYST TO FORM A 2,3-DIHYDRO-4(1H)-QUINAZOLINONE BOUND TO SUPPORT | SEPRACOR INC. | 2001-08-14 | — | — | US | claimed |