Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.36 |
| ▸ | LAP3 | P28838 | 3/20 | 0.36 |
| ▸ | ANPEP | P15144 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.34 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7486605 | 0.81 | KIF11 (0.42) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL7486608 | 0.81 | KIF11 (0.42) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL20553873 | 0.80 | KIF11 (0.41) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL1899105 | 0.76 | KIF11 (0.44) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL232514 | 0.75 | KIF11 (0.42) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL14343479 | 0.74 | KIF11 (0.49) | KIF11 | |
| SCHEMBL29755511 | 0.72 | KIF11 (0.50) | KIF11 | |
| SCHEMBL6745551 | 0.71 | KMT2A (0.44) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL14343478 | 0.70 | KIF11 (0.54) | KIF11 | |
| SCHEMBL20640411 | 0.70 | CYP2D6 (0.39) | LAP3ANPEPCYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5554773-A | N-trityl protected aspartic acid derivatives for the preparation of phosphonate NMDA antagonists | MERRELL PHARMACEUTICALS INC. (US) | 1996-09-10 | — | — | US | disclosed |
| 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 |