Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27848999 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL5217973 | 0.83 | TAAR1 (0.62) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL3816078 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL11776861 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL3579011 | 0.81 | ALDH1A1 (0.52) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL3580131 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL4852727 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL11775541 | 0.80 | SLC6A2 (0.48) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL22897755 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL225865 | 0.80 | TAAR1 (0.53) | ALDH1A1MEN1MAPTTHRBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107406426-A | Cyclic ureas as ROCK inhibitors | 百时美施贵宝公司 | 2017-11-28 | — | — | CN | disclosed |