Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL2646076 | 0.86 | CYP19A1 (0.41) | MAOAMAOBALDH1A1CYP2A6CA12 | |
| SCHEMBL10814069 | 0.84 | MAOA (0.43) | MAOAMAOBCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL28111674 | 0.82 | CYP2A6 (0.42) | MAOAMAOBALDH1A1CYP2A6CA12 | |
| SCHEMBL5958188 | 0.75 | GRIA1 (0.49) | MAOAMAOBALDH1A1CYP2A6CA12 | |
| SCHEMBL7734383 | 0.72 | GRIA1 (0.41) | MAOAMAOBALDH1A1CYP2A6CA12 | |
| SCHEMBL250894 | 0.71 | MAOA (0.50) | MAOAMAOBCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3706669 | 0.71 | KCNH2 (0.46) | MAOAMAOBALDH1A1CYP2A6CYP19A1 | |
| SCHEMBL23672525 | 0.70 | KDM1A (0.43) | KDM1A | |
| SCHEMBL2324122 | 0.70 | MEN1 (0.40) | ALDH1A1CA3CA6CA14CYP19A1 | |
| SCHEMBL2872986 | 0.70 | HTR3A (0.42) | CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2356113-A1 | HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010054763-A1 | HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-05-20 | — | — | WO | disclosed |