Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4816341 | 0.82 | GRIK1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL10010696 | 0.80 | CHRM1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL10668077 | 0.78 | GRIK1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL410656 | 0.77 | GRIK1 (0.42) | GRIK1GRIK2 | |
| SCHEMBL3127134 | 0.75 | — | — | |
| SCHEMBL10494055 | 0.73 | — | — | |
| SCHEMBL3169903 | 0.73 | — | — | |
| SCHEMBL4301199 | 0.73 | — | — | |
| SCHEMBL651947 | 0.73 | — | — | |
| SCHEMBL10494014 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458840-B2 | 2-N-PROPYL-4-HEXYNOIC ACID; REDUCED ADVERSE EFFECTS INCLUDING NEUROTOXICITY AND TERATOGENIC POTENTIAL COMPARED TO VALPROIC ACID | AMERICAN BIOGENETIC SCIENCES, INC. | 2002-10-01 | — | — | US | disclosed |
| US-20010031789-A1 | Use of valproic acid analog for the treatment and prevention of migraine and affective illness | AMERICAN BIOGENETIC SCIENCES, INC. | 2001-10-18 | — | — | US | disclosed |
| US-6268396-B1 | ADMINISTERING 2-N-PROPYL-4-HEXYNOIC ACID | AMERICAN BIOGENETIC SCIENCES, INC. | 2001-07-31 | — | — | US | disclosed |
| EP-1089725-A1 | THE USE OF VALPROIC ACID ANALOG FOR THE TREATMENT AND PREVENTION OF MIGRAINE AND AFFECTIVE ILLNESS | AMERICAN BIOGENETIC SCIENCES, INC. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999066920-A1 | THE USE OF VALPROIC ACID ANALOG FOR THE TREATMENT AND PREVENTION OF MIGRAINE AND AFFECTIVE ILLNESS | AMERICAN BIOGENETIC SCIENCES, INC. (US) | 1999-12-29 | — | — | WO | disclosed |