Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.59 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | LPL | P06858 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL9757708 | 1.00 | SPHK1 (0.59) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL9758350 | 0.99 | SPHK1 (0.62) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL9758345 | 0.99 | SPHK1 (0.62) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL9759166 | 0.97 | SPHK1 (0.59) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL9759172 | 0.97 | SPHK1 (0.59) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL9758896 | 0.96 | SPHK1 (0.56) | SPHK1SPHK2HSD17B10 | |
| SCHEMBL9758929 | 0.96 | SPHK1 (0.62) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL9758924 | 0.96 | SPHK1 (0.62) | SPHK1SPHK2ESR1ADRA2AADORA3 | |
| SCHEMBL9758533 | 0.95 | SPHK1 (0.54) | SPHK1SPHK2 | |
| SCHEMBL9758536 | 0.95 | SPHK1 (0.54) | SPHK1SPHK2 |
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-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |