Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL3893770 | 0.89 | MEN1 (0.55) | KMT2AMEN1ALDH1A1GAAMAPT | |
| SCHEMBL7304302 | 0.85 | KMT2A (0.47) | KMT2AMEN1ALDH1A1GAAMAPT | |
| SCHEMBL7308253 | 0.81 | ACP3 (0.47) | KMT2AMEN1ALDH1A1GAAMAPT | |
| SCHEMBL27510315 | 0.78 | MEN1 (0.47) | KMT2AMEN1ALDH1A1CYP1A2GAA | |
| SCHEMBL28449328 | 0.76 | KMT2A (0.49) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7308021 | 0.74 | LMNA (0.48) | KMT2AMEN1ALDH1A1GAANPC1 | |
| SCHEMBL28441070 | 0.72 | POLB (0.59) | KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL10522698 | 0.69 | CYP1A2 (0.52) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4378891 | 0.69 | MEN1 (0.76) | KMT2AMEN1ALDH1A1GAAALOX12 | |
| SCHEMBL2870880 | 0.69 | CYP1A2 (0.52) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5843905-A | Peptidic phosphinyloxymethyl ketones as interleukin-1β-converting enzyme inhibitors | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-12-01 | — | — | US | claimed |
| EP-0644197-B1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | VERTEX PHARMA (US) | 1998-09-09 | — | — | EP | claimed |
| EP-0644197-A1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1995-03-22 | — | — | EP | claimed |
| US-5843905-A | Peptidic phosphinyloxymethyl ketones as interleukin-1β-converting enzyme inhibitors | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-12-01 | — | — | US | disclosed |
| EP-0644197-B1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | VERTEX PHARMA (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0644197-A1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1995-03-22 | — | — | EP | disclosed |