Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 7/20 | 0.38 |
| ▸ | MMP2 | P08253 | 6/20 | 0.38 |
| ▸ | MMP8 | P22894 | 4/20 | 0.38 |
| ▸ | MMP12 | P39900 | 3/20 | 0.38 |
| ▸ | MMP14 | P50281 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7416795 | 1.00 | HDAC1 (0.43) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Hydrochloric Acid SCHEMBL32662559 | 0.98 | HDAC1 (0.41) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Benzene SCHEMBL4058883 | 0.96 | MMP9 (0.42) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL24885095 | 0.86 | NOD1 (0.46) | MMP9MMP2MMP8MMP12MMP14 | |
| Toluene SCHEMBL4057403 | 0.85 | MMP9 (0.44) | ITGB3ITGAVMMP9MMP2MMP8 | |
| SCHEMBL24884876 | 0.85 | NOD1 (0.49) | MMP9MMP2MMP8MMP12MMP14 | |
| Hydrochloric Acid SCHEMBL15799637 | 0.83 | NOD1 (0.47) | MMP9MMP2MMP8MMP12MMP14 | |
| SCHEMBL24108521 | 0.83 | ITGB3 (0.39) | ITGB3ITGAVMMP9MMP2ITGA2B | |
| SCHEMBL10076157 | 0.83 | ITGB3 (0.39) | ITGB3ITGAVMMP9MMP2ITGA2B | |
| Benzene SCHEMBL6818055 | 0.82 | NOD1 (0.46) | ITGB3MMP9MMP2MMP8MMP12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011149995-A1 | NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-1993012074-A1 | PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1993-06-24 | — | — | WO | disclosed |