Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | RARB | P10826 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16377899 | 0.95 | PKM (0.57) | PKMMAPK1HSD17B10RARBEGFR | |
| SCHEMBL27756504 | 0.88 | SCN1A (0.58) | PKMMAPK1HSD17B10EGFRALDH1A1 | |
| SCHEMBL4716884 | 0.88 | SCN1A (0.58) | PKMMAPK1HSD17B10EGFRALDH1A1 | |
| SCHEMBL15449675 | 0.88 | SCN1A (0.58) | PKMMAPK1HSD17B10EGFRALDH1A1 | |
| SCHEMBL6024231 | 0.88 | SCN1A (0.58) | PKMMAPK1HSD17B10EGFRALDH1A1 | |
| SCHEMBL14273831 | 0.88 | TDP1 (0.57) | PKMMAPK1HSD17B10EGFRALDH1A1 | |
| SCHEMBL3295954 | 0.88 | TDP1 (0.57) | PKMMAPK1HSD17B10EGFRALDH1A1 | |
| SCHEMBL28519762 | 0.88 | TDP1 (0.57) | PKMMAPK1HSD17B10EGFRALDH1A1 | |
| SCHEMBL10739843 | 0.87 | RARB (0.57) | RARBALDH1A1TSHRMAPTNPC1 | |
| Squalane SCHEMBL6425894 | 0.87 | TDP1 (0.56) | PKMMAPK1HSD17B10RARBEGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-5064569-A | Liquid crystals, chirally tilted, phenyl carboxylates | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-12 | — | — | US | disclosed |
| EP-0260275-A1 | OPTICALLY ACTIVE COMPOUNDS | MERCK PATENT GmbH (DE) | 1988-03-23 | — | — | EP | disclosed |
| WO-1987005017-A2 | OPTICALLY ACTIVE COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-08-27 | — | — | WO | disclosed |