Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL7327799 | 0.86 | FKBP1A (0.56) | NPC1HPGDTSHRALDH1A1POLB | |
| SCHEMBL7290137 | 0.84 | TDP1 (0.46) | NPC1TDP1HPGDGAAMAPK1 | |
| SCHEMBL17066373 | 0.81 | DPP4 (0.42) | TDP1HPGDTSHRGAAALDH1A1 | |
| Acetic Acid SCHEMBL6705363 | 0.79 | DPP4 (0.62) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL7319738 | 0.77 | NPC1 (0.51) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL1915970 | 0.76 | CPA3 (0.56) | CYP1A2 | |
| SCHEMBL26330804 | 0.73 | HPGD (0.72) | TDP1HPGDTSHRGAASMN1; SMN2 | |
| SCHEMBL6705366 | 0.73 | NPC1 (0.47) | NPC1TDP1HPGDTSHRGAA | |
| Ammonia Solution, Strong SCHEMBL6705359 | 0.73 | GAA (0.48) | NPC1TDP1HPGDTSHRGAA | |
| SCHEMBL8599235 | 0.73 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0292800-A2 | Amino acid derivatives | MERCK PATENT GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |
| EP-0249096-A2 | Renin-inhibiting amino acid derivatives | MERCK PATENT GmbH (DE) | 1987-12-16 | — | — | EP | disclosed |