Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17688578 | 0.77 | SLC6A4 (0.50) | SLC6A4MAOAPTGS2TAS1R3TAS1R1 | |
| SCHEMBL17688579 | 0.77 | SLC6A4 (0.50) | SLC6A4MAOAPTGS2TAS1R3TAS1R1 | |
| SCHEMBL11076527 | 0.76 | SLC6A4 (0.48) | SLC6A4MAOA | |
| Hydrochloric Acid SCHEMBL17710304 | 0.76 | SLC6A4 (0.49) | SLC6A4MAOAPTGS2TAS1R3TAS1R1 | |
| SCHEMBL16979038 | 0.75 | ESR1 (0.44) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL22247140 | 0.74 | SLC6A4 (0.33) | SLC6A4MAOA | |
| SCHEMBL18595195 | 0.74 | TRPA1 (0.42) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL11225092 | 0.74 | GABBR2 (0.43) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL3857347 | 0.74 | HDAC8 (0.44) | SLC6A4ESR1ESR2ADRA2AADRA2B | |
| SCHEMBL11571268 | 0.74 | ESR1 (0.42) | ESR1ESR2ADRA2AADRA2BADRA2C |
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-2017132432-A1 | BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS, INC. (US) | 2017-08-03 | — | — | WO | disclosed |