Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 14/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9300028 | 1.00 | CYP3A4 (0.39) | CYP3A4PKMSMN1; SMN2CASP1ALDH1A1 | |
| SCHEMBL9299497 | 1.00 | CYP3A4 (0.39) | CYP3A4PKMSMN1; SMN2CASP1ALDH1A1 | |
| SCHEMBL8968840 | 0.84 | KMT2A (0.40) | ALDH1A1TSHR | |
| SCHEMBL8968828 | 0.84 | KMT2A (0.40) | ALDH1A1TSHR | |
| SCHEMBL8968009 | 0.81 | CA2 (0.39) | ALDH1A1 | |
| SCHEMBL8967991 | 0.81 | CA2 (0.39) | ALDH1A1 | |
| SCHEMBL24346571 | 0.74 | KMT2A (0.40) | ALDH1A1 | |
| SCHEMBL8968916 | 0.74 | KMT2A (0.40) | ALDH1A1 | |
| SCHEMBL29045237 | 0.74 | KMT2A (0.40) | ALDH1A1 | |
| SCHEMBL7368150 | 0.71 | MMP8 (0.36) | CYP3A4SMN1; SMN2CASP1ALDH1A1TSHR |
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-0613459-A1 | N-TRITYL ASPARTIC ACID DERIVATIVES FOR PREPARING PHOSPHONATE NMDA ANTAGONISTS. | MERRELL DOW PHARMA (US) | 1994-09-07 | — | — | EP | disclosed |
| WO-1993010075-A1 | N-TRITYL ASPARTIC ACID DERIVATIVES FOR PREPARING PHOSPHONATE NMDA ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-05-27 | — | — | WO | disclosed |