Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL19312419 | 0.94 | HTR1A (0.47) | ALDH1A1CYP3A4HDAC3HDAC1HTR1A | |
| SCHEMBL763898 | 0.85 | PTGER4 (0.48) | ALDH1A1CYP3A4HDAC3HDAC1HTR1A | |
| SCHEMBL2019104 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HDAC3HDAC1HDAC2 | |
| SCHEMBL29624960 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HDAC3HDAC1HDAC2 | |
| SCHEMBL2219091 | 0.84 | HDAC3 (0.46) | ALDH1A1CYP3A4HDAC3HDAC1HTR1A | |
| SCHEMBL16407615 | 0.83 | PTGER4 (0.49) | ALDH1A1CYP3A4HDAC3HDAC1HTR1A | |
| SCHEMBL3897070 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HDAC3HDAC1HTR1A | |
| SCHEMBL16406450 | 0.83 | HDAC3 (0.47) | ALDH1A1CYP3A4HDAC3HDAC1HTR1A | |
| SCHEMBL30712045 | 0.81 | TDP1 (0.51) | ALDH1A1CYP3A4HDAC3HDAC1HDAC2 | |
| SCHEMBL14141593 | 0.81 | LMNA (0.55) | ALDH1A1HDAC3HDAC1HDAC2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |