Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7250447 | 0.91 | CYP2C19 (0.59) | CYP2C19PKMALDH1A1POLBHTT | |
| SCHEMBL21519710 | 0.88 | CYP2D6 (0.55) | CYP2C19HSD11B1ALDH1A1POLBKMT2A | |
| SCHEMBL21519713 | 0.88 | CYP2D6 (0.55) | CYP2C19HSD11B1ALDH1A1POLBKMT2A | |
| SCHEMBL16647602 | 0.87 | TRPA1 (0.48) | CYP2C19HSD11B1PKMALDH1A1POLB | |
| SCHEMBL17959557 | 0.87 | TRPA1 (0.48) | CYP2C19HSD11B1PKMALDH1A1POLB | |
| Phenylalanine SCHEMBL5851011 | 0.84 | CYP2C19 (0.47) | CYP2C19HSD11B1PKMALDH1A1KMT2A | |
| SCHEMBL9213545 | 0.83 | CYP2C19 (0.53) | CYP2C19PKMALDH1A1POLBHTT | |
| SCHEMBL5717033 | 0.80 | ALDH1A1 (0.49) | HSD11B1ALDH1A1POLBKMT2AGAA | |
| SCHEMBL21519754 | 0.79 | ITGB1 (0.49) | HSD11B1KMT2AMEN1 | |
| SCHEMBL5201121 | 0.79 | ITGB1 (0.49) | HSD11B1KMT2AMEN1 |
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-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |