Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL2240091 | 0.91 | REN (0.50) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL2242992 | 0.81 | REN (0.43) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL2820607 | 0.81 | REN (0.47) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL13434135 | 0.81 | TSHR (0.59) | RENCYP3A4CYP2C19ALDH1A1THRB | |
| SCHEMBL5987076 | 0.81 | REN (0.49) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL2243744 | 0.81 | CYP3A4 (0.44) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL12352857 | 0.81 | CYP3A4 (0.44) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL2820593 | 0.79 | REN (0.41) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL2819642 | 0.79 | REN (0.41) | RENCYP3A4CYP2C19PPARGALDH1A1 | |
| SCHEMBL20580653 | 0.79 | MEN1 (0.55) | ALDH1A1L3MBTL1TSHRMEN1KMT2A |
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 |