Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8725899 | 0.77 | P2RY1 (0.48) | P2RY1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8341105 | 0.76 | P2RY1 (0.50) | P2RY1L3MBTL1HTR1ASLC6A2SLC6A4 | |
| SCHEMBL8720565 | 0.73 | MAPT (0.51) | NPSR1P2RY1ALDH1A1HTR1ASLC6A2 | |
| SCHEMBL14803631 | 0.72 | HSP90AA1 (0.51) | NPSR1ALDH1A1ATML3MBTL1 | |
| SCHEMBL14803570 | 0.68 | HSP90AA1 (0.47) | ALDH1A1ATML3MBTL1NPC1RAB9A | |
| SCHEMBL14051396 | 0.68 | CYP3A4 (0.51) | NPSR1LRRK2POLBTP53NR1H2 | |
| SCHEMBL17206945 | 0.68 | PDE10A (0.49) | AKR1C3ALDH1A1ATML3MBTL1PKM | |
| SCHEMBL4123885 | 0.67 | ALDH1A1 (0.49) | NPSR1AKR1C3LRRK2ALDH1A1POLB | |
| SCHEMBL15966071 | 0.66 | NPSR1 (0.49) | NPSR1ALDH1A1ATML3MBTL1TSHR | |
| SCHEMBL4479895 | 0.66 | SCD (0.49) | P2RY1HTR1ASLC6A2SLC6A4SLC6A3 |
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-0700391-B1 | HERBICIDAL COMPOUNDS | SHELL INT RESEARCH (NL) | 1998-10-21 | — | — | EP | claimed |