Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2242174 | 0.92 | CYP2C19 (0.40) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL2240351 | 0.88 | CYP2C19 (0.40) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL27965358 | 0.87 | CYP2C19 (0.40) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL27822507 | 0.87 | CYP2C19 (0.40) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL2242178 | 0.87 | CYP2C19 (0.46) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL2823801 | 0.85 | CYP2C19 (0.39) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL2246898 | 0.84 | CYP2C19 (0.38) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL27822506 | 0.84 | CYP2C19 (0.43) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL27965356 | 0.84 | CYP2C19 (0.43) | CYP2C19CYP3A4CYP2C9THRBMEN1 | |
| SCHEMBL5985330 | 0.83 | CYP2C19 (0.47) | CYP2C19CYP3A4CYP2C9THRBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8389511-B2 | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-03-05 | — | — | US | disclosed |
| EP-2243779-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2010-10-27 | — | — | EP | disclosed |