Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8119387 | 0.86 | NPY1R (0.45) | SPHK1NOS1NPY1R | |
| SCHEMBL8114860 | 0.86 | SPHK1 (0.43) | SPHK1NOS1NPY1R | |
| SCHEMBL8119120 | 0.85 | SPHK1 (0.41) | SPHK1EPHX2NR1H4NOS1NPY1R | |
| SCHEMBL8127580 | 0.85 | CYP2C19 (0.43) | SPHK1MEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8119098 | 0.84 | NPC1 (0.38) | MEN1KMT2AKLKB1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8126119 | 0.83 | CA2 (0.49) | KLKB1NPY1R | |
| SCHEMBL8120531 | 0.82 | NPY1R (0.61) | KLKB1NPY1R | |
| Trifluoroacetic Acid SCHEMBL8114483 | 0.79 | CHIT1 (0.38) | KLKB1NPY1R | |
| SCHEMBL8112352 | 0.77 | NOS1 (0.40) | SPHK1NOS1 | |
| SCHEMBL8119527 | 0.75 | POLB (0.45) | KMT2ASMN1; SMN2ALDH1A1POLBNOS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |