Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | HRH1 | P35367 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL309452 | 0.88 | — | — | |
| SCHEMBL30390174 | 0.88 | — | — | |
| Ethane SCHEMBL28701355 | 0.86 | CYP3A4 (0.39) | KDM4ECYP3A4LMNATSHRCYP2D6 | |
| SCHEMBL9441234 | 0.85 | KDM4E (0.35) | PDCD1CD274KDM4ECYP3A4CYP2D6 | |
| SCHEMBL29460909 | 0.77 | — | — | |
| SCHEMBL6771 | 0.77 | — | — | |
| SCHEMBL4412197 | 0.76 | CYP2D6 (0.43) | KDM4ECYP3A4CYP2D6HRH1TDP1 | |
| SCHEMBL28665878 | 0.76 | ALDH1A1 (0.44) | KDM4ECYP3A4LMNATSHRCYP2D6 | |
| SCHEMBL9177452 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL29268322 | 0.75 | HSP90AA1 (0.43) | KDM4ETSHRTDP1SMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2408777-A1 | IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION | SANOFI (FR) | 2012-01-25 | — | — | EP | claimed |
| WO-2010107969-A1 | IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION | SANOFI-AVENTIS (FR) | 2010-09-23 | — | — | WO | claimed |
| EP-2408777-A1 | IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION | SANOFI (FR) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010107969-A1 | IMPROVED CHEMICAL SYNTHESIS OF DIAZAINDOLES BY CHICHIBABIN CYCLIZATION | SANOFI-AVENTIS (FR) | 2010-09-23 | — | — | WO | disclosed |