Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.41 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19354446 | 1.00 | CYP2A6 (0.54) | CYP2A6LOXL2HRH3MAOBCTBP2 | |
| SCHEMBL23059553 | 0.88 | ESR1 (0.43) | CYP2A6LOXL2HRH3MAOBCTBP2 | |
| SCHEMBL19354445 | 0.84 | CYP2A6 (0.50) | CYP2A6LOXL2HRH3MAOBCTBP2 | |
| SCHEMBL2320821 | 0.83 | CYP2A6 (0.58) | CYP2A6LOXL2MAOBIDO1ALDH1A1 | |
| SCHEMBL10668261 | 0.83 | LOXL2 (0.52) | CYP2A6LOXL2HRH3CTBP2IDO1 | |
| SCHEMBL196800 | 0.82 | TAAR1 (0.48) | TSHR | |
| SCHEMBL18930746 | 0.81 | LOXL2 (0.47) | CYP2A6LOXL2HRH3MAOBIDO1 | |
| SCHEMBL1226223 | 0.81 | LOXL2 (0.50) | CYP2A6LOXL2HRH3MAOBCTBP2 | |
| SCHEMBL10621501 | 0.80 | CYP2A6 (0.55) | CYP2A6LOXL2HRH3MAOBIDO1 | |
| SCHEMBL9902676 | 0.80 | CYP2A6 (0.50) | CYP2A6LOXL2HRH3MAOBCTBP2 |
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 |