Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 4/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4458553 | 1.00 | CA2 (0.50) | CA2CA1MAPK1CTSKCHRM1 | |
| Water SCHEMBL28721777 | 0.98 | CA2 (0.48) | CA2CA1MAPK1CTSKCHRM1 | |
| SCHEMBL25670282 | 0.96 | CA2 (0.53) | CA2CA1MAPK1CTSKCTSS | |
| Oxalic Acid SCHEMBL29080573 | 0.94 | CA2 (0.46) | CA2CA1MAPK1CTSKCHRM1 | |
| SCHEMBL5981783 | 0.94 | CA2 (0.44) | CA2CA1MAPK1CTSKCHRM1 | |
| SCHEMBL10291076 | 0.94 | HDAC1 (0.46) | CA2CA1MAPK1CTSKCHRM1 | |
| SCHEMBL25422481 | 0.92 | CA2 (0.47) | CA2CA1SLC1A2SLC1A1 | |
| SCHEMBL28648541 | 0.92 | CA2 (0.47) | CA2CA1SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL29134420 | 0.92 | CA2 (0.43) | CA2CA1MAPK1CTSKCHRM1 | |
| SCHEMBL27829997 | 0.92 | CA2 (0.47) | CA2CA1SLC1A2SLC1A1 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |