Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.46 |
| ▸ | KCNMA1 | Q12791 | 8/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9119272 | 0.89 | KCNMA1 (0.49) | ALDH1A1ALOX15SMN1; SMN2HSD17B10HPGD | |
| SCHEMBL9119813 | 0.85 | CHRNA7 (0.53) | ALDH1A1ALOX15SMN1; SMN2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL9119630 | 0.83 | CHRNA7 (0.52) | ALDH1A1ALOX15SMN1; SMN2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL2641991 | 0.83 | ALDH1A1 (0.51) | ALDH1A1ALOX15SMN1; SMN2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL9118764 | 0.81 | MAPT (0.58) | ALDH1A1ALOX15SMN1; SMN2HPGDMAPK1 | |
| SCHEMBL9120818 | 0.80 | KCNMA1 (0.53) | ALDH1A1ALOX15SMN1; SMN2HSD17B10HPGD | |
| SCHEMBL9120234 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2HSD17B10HPGDPOLB | |
| Hydrochloric Acid SCHEMBL9118427 | 0.77 | KCNMA1 (0.48) | ALDH1A1ALOX15SMN1; SMN2HSD17B10HPGD | |
| SCHEMBL11091688 | 0.77 | CXCR2 (0.57) | ALOX15HSD17B10MAPK1CXCR2KCNMA1 | |
| SCHEMBL93885 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0520200-B1 | Imidazole compounds, their preparation and use | NEUROSEARCH AS (DK) | 1998-02-18 | — | — | EP | disclosed |
| US-5210091-A | Calcium channel blockers used in treatment of central nervous system disorders | NEUROSEARCH A/S (DK) | 1993-05-11 | — | — | US | disclosed |
| EP-0520200-A2 | Imidazole compounds, their preparation and use | NEUROSEARCH A/S (DK) | 1992-12-30 | — | — | EP | disclosed |