Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.48 |
| ▸ | PDE5A | O76074 | 4/20 | 0.41 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 2/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 2/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.34 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.34 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1551252 | 0.85 | PDE5A (0.45) | HSP90AB1PDE5AHPSEMETAP1METAP2 | |
| SCHEMBL2747190 | 0.84 | AMY1A (0.43) | METAP1METAP2 | |
| SCHEMBL2312611 | 0.77 | HSP90AB1 (0.65) | HSP90AB1PDE5AHPSEMETAP1METAP2 | |
| SCHEMBL2311645 | 0.77 | HSP90AB1 (0.65) | HSP90AB1PDE5AHPSEMETAP1METAP2 | |
| SCHEMBL2158386 | 0.75 | HSP90AB1 (0.71) | HSP90AB1PDE5AHPSEMETAP1METAP2 | |
| SCHEMBL14406022 | 0.74 | HSP90AB1 (0.58) | HSP90AB1PDE5AHPSESMN1; SMN2FASN | |
| SCHEMBL1551597 | 0.73 | PDE5A (0.46) | HSP90AB1PDE5AHPSEMETAP1METAP2 | |
| SCHEMBL1551594 | 0.73 | PDE5A (0.46) | HSP90AB1PDE5AHPSEMETAP1METAP2 | |
| SCHEMBL14344002 | 0.73 | HSP90AB1 (0.54) | HSP90AB1PDE5AHPSEMETAP1METAP2 | |
| SCHEMBL2158650 | 0.73 | HSP90AB1 (0.57) | HSP90AB1PDE5AHPSEALDH1A1PKM |
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-2313412-B1 | NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI SA (FR) | 2013-01-02 | — | — | EP | claimed |
| US-8178687-B2 | Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof | SANOFI-AVENTIS (FR) | 2012-05-15 | — | — | US | claimed |
| EP-2313412-B1 | NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI SA (FR) | 2013-01-02 | — | — | EP | disclosed |
| US-8178687-B2 | Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof | SANOFI-AVENTIS (FR) | 2012-05-15 | — | — | US | disclosed |
| EP-2313412-A1 | NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | Sanofi-aventis (FR) | 2011-04-27 | — | — | EP | disclosed |
| WO-2009153516-A1 | NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2009-12-23 | — | — | WO | disclosed |