Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11068035 | 0.86 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10CYP1A2CA12 | |
| SCHEMBL9509224 | 0.83 | CYP1A2 (0.57) | ALDH1A1HSD17B10CYP1A2GAAALOX15 | |
| SCHEMBL14341642 | 0.81 | CA12 (0.46) | ALDH1A1LMNAHSD17B10CYP1A2CA12 | |
| SCHEMBL8811530 | 0.79 | SOAT1 (0.48) | ALDH1A1LMNAHSD17B10CYP1A2ACHE | |
| SCHEMBL723390 | 0.77 | CYP1A2 (0.61) | ALDH1A1LMNAHSD17B10CYP1A2GAA | |
| SCHEMBL10890938 | 0.77 | — | — | |
| Ethane SCHEMBL11195854 | 0.76 | CYP1A2 (0.59) | ALDH1A1LMNAHSD17B10CYP1A2GAA | |
| SCHEMBL11726760 | 0.75 | — | — | |
| SCHEMBL8744937 | 0.75 | CA12 (0.43) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL10413167 | 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-0755922-B1 | 22-THIAVITAMIN D3 DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2000-08-16 | — | — | EP | disclosed |
| US-5824811-A | 22-Thiavitamin D3 derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1998-10-20 | — | — | US | disclosed |
| EP-0755922-A1 | 22-THIAVITAMIN D 3 DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1997-01-29 | — | — | EP | disclosed |