Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | APEX1 | P27695 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8642946 | 0.85 | KDM4E (0.46) | CASP1ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL7333613 | 0.84 | APEX1 (0.40) | ALDH1A1HSD17B10KDM4EAPEX1POLB | |
| SCHEMBL4558471 | 0.79 | ALDH1A1 (0.49) | CASP1ALDH1A1HSD17B10KDM4EAPEX1 | |
| SCHEMBL952175 | 0.72 | CASP1 (0.73) | CASP1ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL9339124 | 0.71 | ALDH1A1 (0.45) | CASP1ALDH1A1HSD17B10KDM4EPOLB | |
| SCHEMBL7321593 | 0.66 | KDM4E (0.31) | ALDH1A1KDM4EHPGD | |
| SCHEMBL9532751 | 0.65 | AGTR1 (0.50) | — | |
| SCHEMBL7226330 | 0.65 | ALDH1A1 (0.56) | CASP1ALDH1A1HSD17B10KDM4EAPEX1 | |
| SCHEMBL27668053 | 0.64 | RARB (0.40) | ALDH1A1HSD17B10KDM4EHPGDALOX15 | |
| SCHEMBL6800734 | 0.63 | GAA (0.40) | ALDH1A1KDM4EAPEX1HPGDGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2123665-A2 | Inhibitors of interleukin-1Beta converting enzyme | Vertex Pharmaceuticals Incorporated (US) | 2009-11-25 | — | — | EP | disclosed |
| EP-1394175-A1 | Inhibitors of interleukin-1beta converting enzyme | Vertex Pharmaceuticals Incorporated (US) | 2004-03-03 | — | — | EP | disclosed |
| US-6420522-B1 | ENZYME INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2002-07-16 | — | — | US | disclosed |
| US-5656627-A | USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1997-08-12 | — | — | US | disclosed |
| EP-0784628-A1 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1997-07-23 | — | — | EP | disclosed |
| WO-1995035308-A1 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-12-28 | — | — | WO | disclosed |