Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.41 |
| ▸ | 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 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TST | Q16762 | 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 | |
|---|---|---|---|---|
| SCHEMBL9759330 | 0.90 | SPHK1 (0.40) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9759834 | 0.90 | SPHK1 (0.40) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9759568 | 0.90 | SPHK1 (0.40) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9758777 | 0.89 | MAOA (0.35) | ALDH1A1KDM4EHTR2CHTR2ALPL | |
| SCHEMBL9757952 | 0.89 | SPHK1 (0.43) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9759208 | 0.85 | NISCH (0.34) | ALDH1A1KDM4ENPC1RAB9ALPL | |
| SCHEMBL9757785 | 0.84 | MAOA (0.38) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9758652 | 0.83 | MAOA (0.37) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9759087 | 0.82 | CYP1A2 (0.41) | SPHK1 | |
| SCHEMBL9757852 | 0.81 | MAOA (0.36) | SPHK1ALDH1A1CYP3A4HSD17B10NPC1 |
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 |