Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 4/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 4/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7718052 | 1.00 | CHRM1 (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL7982967 | 0.89 | CA2 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL8847074 | 0.87 | ACE2 (0.43) | GRIK1GRIK2SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL8847217 | 0.86 | GRIK1 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL11805982 | 0.79 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL277403 | 0.77 | CHRM1 (0.54) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL7554466 | 0.77 | SLC1A3 (0.45) | TDP1GRIK1GRIK2SLC1A3SLC1A2 | |
| SCHEMBL7424012 | 0.77 | GRIK1 (0.41) | TDP1GRIK1GRIK2SLC1A3SLC1A2 | |
| SCHEMBL17212018 | 0.76 | GRIK1 (0.46) | TDP1GRIK1GRIK2SLC1A3SLC1A2 | |
| SCHEMBL21243670 | 0.74 | GRIK1 (0.47) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6274624-B1 | COMPOUNDS SUCH AS 2-N-PENTYL-4-PENTYNOIC ACID AS ANTIMITOTIC AGENTS | AMERICAN BIOGENETIC SCIENCES INC. | 2001-08-14 | — | — | US | claimed |