Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.82 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.69 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | USP2 | O75604 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | CDC25A | P30304 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5332328 | 0.84 | PKM (0.66) | PKMCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5331484 | 0.80 | ALDH1A1 (0.66) | PKMCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5333083 | 0.79 | MAPT (0.68) | PKMCYP3A4CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL5333033 | 0.79 | ALDH1A1 (0.75) | PKML3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL5332243 | 0.78 | ALDH1A1 (0.67) | PKML3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL14478938 | 0.77 | ALDH1A1 (0.66) | PKMCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5331550 | 0.76 | ALDH1A1 (1.00) | PKMCYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL6408488 | 0.76 | ALDH1A1 (0.70) | PKML3MBTL1ALDH1A1NPSR1MEN1 | |
| SCHEMBL6407843 | 0.76 | NPC1 (0.63) | PKMCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18556577 | 0.76 | POLB (0.73) | L3MBTL1ALDH1A1MEN1KMT2ATSHR |
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-2007047394-A2 | THIOTRIAZOLYL DERIVATIVES | EPIX DELAWARE, INC. (US) | 2007-04-26 | — | — | WO | disclosed |