Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6431145 | 1.00 | CA2 (0.54) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28504059 | 0.94 | GPR84 (0.50) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL1116066 | 0.92 | GPR84 (0.53) | CA2MAPK1ACE2GPR84CA1 | |
| SCHEMBL29126788 | 0.92 | GPR84 (0.53) | CA2MAPK1ACE2GPR84CA1 | |
| SCHEMBL8028598 | 0.92 | GPR84 (0.53) | CA2MAPK1ACE2GPR84CA1 | |
| SCHEMBL6744021 | 0.92 | GPR84 (0.53) | CA2MAPK1ACE2GPR84CA1 | |
| SCHEMBL8421695 | 0.89 | CA2 (0.50) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28570001 | 0.87 | CA2 (0.48) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL277403 | 0.86 | CHRM1 (0.54) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL27610235 | 0.85 | ALDH1A1 (0.54) | CA2MAPK1ACE2GPR84CA1 |
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-2012058065-A1 | BORONATES AS ARGINASE INHIBITORS | MARS INCORPORATED (US) | 2012-05-03 | — | — | WO | disclosed |