Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 3/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217767 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL8694819 | 0.84 | SMN1; SMN2 (0.48) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL9902800 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL29163261 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1KDM4EMAPT | |
| SCHEMBL27657693 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL27657695 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL29054323 | 0.77 | TSHR (0.44) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL18668233 | 0.77 | TSHR (0.44) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL4952574 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 | |
| SCHEMBL4130175 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KMT2AL3MBTL1MAPK1TDP1 |
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-1833794-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006057961-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |