Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.68 |
| ▸ | NPC1 | O15118 | 6/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7954413 | 0.84 | NPC1 (0.59) | RAB9ANPC1KDM4EPTGS2KMT2A | |
| SCHEMBL20872521 | 0.82 | RAB9A (0.71) | RAB9ANPC1PTGS2KMT2A | |
| Benzene SCHEMBL28942515 | 0.82 | RAB9A (0.71) | RAB9ANPC1PTGS2KMT2AKCNA5 | |
| SCHEMBL7613161 | 0.79 | RAB9A (0.67) | RAB9ANPC1PTGS2KMT2A | |
| SCHEMBL274496 | 0.79 | NPC1 (0.54) | RAB9ANPC1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL29628547 | 0.78 | RAB9A (0.65) | RAB9ANPC1PTGS2KMT2A | |
| SCHEMBL29628509 | 0.78 | RAB9A (0.65) | RAB9ANPC1PTGS2KMT2A | |
| SCHEMBL20872655 | 0.78 | RAB9A (0.65) | RAB9ANPC1PTGS2KMT2A | |
| SCHEMBL28942513 | 0.78 | RAB9A (0.65) | RAB9ANPC1PTGS2KMT2A | |
| SCHEMBL13479791 | 0.75 | RAB9A (1.00) | RAB9ANPC1ALDH1A1KDM4EPTGS2 |
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 | disclosed |