Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | CTSC | P53634 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10501474 | 1.00 | SPHK1 (0.36) | SPHK1SPHK2MEN1TP53CYP3A4 | |
| SCHEMBL10502229 | 0.99 | SPHK1 (0.37) | SPHK1SPHK2MEN1TP53CYP3A4 | |
| SCHEMBL10502238 | 0.99 | SPHK1 (0.37) | SPHK1SPHK2MEN1TP53CYP3A4 | |
| SCHEMBL10503119 | 0.98 | SPHK1 (0.33) | SPHK1SPHK2MEN1TP53CYP3A4 | |
| SCHEMBL10503112 | 0.98 | SPHK1 (0.33) | SPHK1SPHK2MEN1TP53CYP3A4 | |
| SCHEMBL10501360 | 0.96 | SPHK1 (0.33) | SPHK1SPHK2CYP3A4CTSKCTSC | |
| SCHEMBL10501345 | 0.96 | SPHK1 (0.33) | SPHK1SPHK2CYP3A4CTSKCTSC | |
| SCHEMBL7024042 | 0.94 | SPHK1 (0.34) | SPHK1MEN1TP53CYP3A4ALOX5 | |
| SCHEMBL7023946 | 0.93 | SPHK1 (0.35) | SPHK1SPHK2CYP3A4CTSKCTSC | |
| SCHEMBL10502110 | 0.92 | CTSC (0.33) | SPHK1CYP3A4CTSKCTSC |
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-0154840-B1 | LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GmbH (DE) | 1989-01-25 | — | — | EP | disclosed |
| US-4704227-A | DERIVATIVES OF 1,3-DIOXANE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-11-03 | — | — | US | disclosed |
| EP-0154840-A2 | Liquid crystal compounds | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |