Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13958424 | 0.93 | TDP1 (0.48) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| SCHEMBL10981910 | 0.93 | ALDH1A1 (0.62) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| SCHEMBL9185892 | 0.90 | ALDH1A1 (0.58) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| SCHEMBL11935901 | 0.84 | CNR2 (0.49) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL11508150 | 0.83 | ALDH1A1 (0.64) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| SCHEMBL4352609 | 0.82 | CYP2C19 (0.41) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| SCHEMBL7763544 | 0.81 | TDP1 (0.47) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| SCHEMBL994614 | 0.80 | TDP1 (0.54) | CYP3A4TDP1TSHRALDH1A1MAPK1 | |
| SCHEMBL2572167 | 0.80 | ALOX15 (0.44) | CYP3A4TSHRALDH1A1ALOX15TP53 | |
| SCHEMBL24770500 | 0.78 | APP (0.49) | CYP3A4TDP1TSHRALDH1A1MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2014285-A1 | NPYY5 antagonists | Shionogi&Co., Ltd. (JP) | 2009-01-14 | — | — | EP | disclosed |