Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7638720 | 0.83 | NPSR1 (0.57) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL7638724 | 0.83 | NPSR1 (0.57) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL30350892 | 0.82 | NPSR1 (0.56) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL25975237 | 0.82 | NPSR1 (0.56) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL5667523 | 0.80 | NPSR1 (0.65) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL5612231 | 0.80 | NPSR1 (0.65) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL10971540 | 0.80 | NPSR1 (0.54) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL598484 | 0.80 | NPSR1 (0.54) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL10971539 | 0.80 | NPSR1 (0.54) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL1321694 | 0.80 | NPSR1 (0.65) | NPSR1HCAR2ALDH1A1LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5508456-A | REDUCING ALKYL ESTER WITH CARRIER-FREE LITHIUM ALUMINUM TRITIDE, OXIDIZING DITRITIUM ALCOHOL TO MONOTRITIUM ALDEHYDE, CONDENSING WITH CARBANION EQUIVALENT TO FORM MIXTURE OF RETINOID ESTER STEREOISOMERS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 1996-04-16 | — | — | US | disclosed |
| WO-1995004018-A1 | 9-CIS TRITIUM-LABELLED RETINOIDS, THEIR PREPARATION AND USE | LIGAND PHARMACEUTICALS INCORPORATED (US) | 1995-02-09 | — | — | WO | disclosed |