Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6705363 | 0.77 | DPP4 (0.62) | GAAMAPK1NPC1TDP1HPGD | |
| SCHEMBL6705366 | 0.74 | NPC1 (0.47) | GAAMAPK1NPC1TDP1HPGD | |
| SCHEMBL7319738 | 0.73 | NPC1 (0.51) | GAAMAPK1NPC1TDP1HPGD | |
| SCHEMBL7319741 | 0.73 | NPC1 (0.51) | GAAMAPK1NPC1TDP1HPGD | |
| SCHEMBL2292391 | 0.73 | CTSK (0.56) | NPC1TSHRALDH1A1CYP1A2RAB9A | |
| SCHEMBL3008826 | 0.73 | CTSK (0.56) | NPC1TSHRALDH1A1CYP1A2RAB9A | |
| SCHEMBL9800577 | 0.72 | HPGD (0.52) | GAANPC1TDP1HPGDTSHR | |
| SCHEMBL8921434 | 0.71 | ALDH1A1 (0.46) | NPC1TSHRALDH1A1CYP1A2RAB9A | |
| SCHEMBL17945538 | 0.71 | NPC1 (0.49) | GAAMAPK1NPC1TDP1HPGD | |
| SCHEMBL30108254 | 0.70 | NPC1 (0.51) | GAAMAPK1NPC1TDP1HPGD |
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-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |