Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 16/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2269194 | 1.00 | HRH3 (0.49) | HRH3HRH1ALDH1A1CYP1A2POLB | |
| SCHEMBL2267296 | 0.89 | HRH3 (0.51) | HRH3HRH1LMNA | |
| SCHEMBL2266798 | 0.89 | HRH3 (0.51) | HRH3HRH1LMNA | |
| SCHEMBL2264332 | 0.89 | HRH3 (0.54) | HRH3HRH1ALDH1A1CYP1A2POLB | |
| SCHEMBL2191302 | 0.86 | HRH3 (0.48) | HRH3HRH1CYP2D6 | |
| SCHEMBL2191319 | 0.86 | HRH3 (0.48) | HRH3HRH1CYP2D6 | |
| SCHEMBL1789991 | 0.80 | HRH3 (0.51) | HRH3HRH1 | |
| SCHEMBL1789988 | 0.80 | HRH3 (0.51) | HRH3HRH1 | |
| SCHEMBL1791368 | 0.80 | HRH3 (0.51) | HRH3HRH1 | |
| SCHEMBL2275230 | 0.79 | HRH3 (0.55) | HRH3HRH1ALDH1A1CYP1A2POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | claimed |
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |