Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6705363 | 0.75 | DPP4 (0.62) | NPC1TDP1HPGDTSHRGAA | |
| Ammonia Solution, Strong SCHEMBL6705359 | 0.74 | GAA (0.48) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL28767848 | 0.73 | GAA (0.47) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL7319738 | 0.73 | NPC1 (0.51) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL7319741 | 0.73 | NPC1 (0.51) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL19390302 | 0.71 | DPP7 (0.51) | NPC1TDP1HPGDALDH1A1DPP4 | |
| SCHEMBL10059185 | 0.71 | DPP7 (0.51) | NPC1TDP1HPGDALDH1A1DPP4 | |
| SCHEMBL26330804 | 0.70 | HPGD (0.72) | TDP1HPGDTSHRGAASMN1; SMN2 | |
| SCHEMBL1492483 | 0.69 | NPC1 (0.69) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL8599235 | 0.69 | NPC1 (0.69) | NPC1TDP1HPGDTSHRGAA |
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 |