Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30136182 | 0.77 | ADRB1 (0.43) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28861560 | 0.74 | MGLL (0.42) | MAPTLMNADRD4MEN1KMT2A | |
| SCHEMBL28857529 | 0.73 | NCF1 (0.40) | — | |
| SCHEMBL30136220 | 0.73 | DRD2 (0.47) | MAPTKDM4EMAPK1ALDH1A1HPGD | |
| SCHEMBL458965 | 0.68 | ENPP2 (0.38) | GAAMAPTKDM4EPOLBMAPK1 | |
| SCHEMBL5902307 | 0.68 | DAO (0.36) | — | |
| SCHEMBL28406341 | 0.65 | GAA (0.36) | IDO1GAAMAPTKDM4EPOLB | |
| SCHEMBL20797274 | 0.65 | GAA (0.36) | IDO1GAAMAPTKDM4EPOLB | |
| SCHEMBL10988134 | 0.65 | ALDH1A1 (0.37) | IDO1GAAMAPTKDM4EPOLB | |
| SCHEMBL4948591 | 0.64 | IDO1 (0.41) | IDO1GAAMAPTKDM4EPOLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2408762-A1 | HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF | SANOFI (FR) | 2012-01-25 | — | — | EP | 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-2011004132-A1 | NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-13 | — | — | WO | disclosed |
| WO-2010106290-A1 | HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF | SANOFI-AVENTIS (FR) | 2010-09-23 | — | — | WO | 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 |