Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553149 | 0.80 | SLC6A4 (0.46) | SLC6A4NPSR1POLBHTTMEN1 | |
| SCHEMBL29288548 | 0.76 | SLC6A4 (0.43) | SLC6A4NPSR1POLBHTTMEN1 | |
| SCHEMBL20242106 | 0.75 | SLC6A4 (0.54) | SLC6A4NPSR1POLBHTTMEN1 | |
| SCHEMBL7602755 | 0.72 | AKR1C1 (0.50) | SLC6A4NPSR1POLBHTTMEN1 | |
| SCHEMBL18441436 | 0.70 | SLC22A1 (0.39) | SLC6A4AKR1C1OPRM1 | |
| SCHEMBL5129613 | 0.69 | AKR1C1 (0.47) | SLC6A4NPSR1POLBHTTMEN1 | |
| SCHEMBL4639359 | 0.68 | AKR1C1 (0.56) | HTTMEN1KMT2ACYP2C9AKR1C1 | |
| SCHEMBL4814471 | 0.68 | OPRM1 (0.34) | SLC6A4POLBMEN1KMT2ACYP1A2 | |
| SCHEMBL19469690 | 0.67 | ELOVL1 (0.47) | SLC6A4NPSR1POLBHTTMEN1 | |
| SCHEMBL11444396 | 0.67 | MEN1 (0.62) | SLC6A4NPSR1POLBHTTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018107056-A1 | 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |