Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRF1 | P14222 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESRRG | P62508 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12574380 | 0.84 | HSD17B1 (0.42) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL12557520 | 0.82 | HSD17B1 (0.39) | HSD17B1HSD17B2CYP3A4ALDH1A1MAPT | |
| SCHEMBL24594294 | 0.80 | MAOA (0.47) | MAP4K4MAOACASP1CYP3A4RECQL | |
| SCHEMBL12491723 | 0.79 | APP (0.58) | PRF1ESR1ESRRGESR2APP | |
| SCHEMBL13780634 | 0.75 | APP (0.46) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL13780632 | 0.75 | HSD17B1 (0.36) | ESR1ESRRGESR2APPHSD17B1 | |
| SCHEMBL13350195 | 0.75 | APP (0.34) | ESR1ESR2APP | |
| SCHEMBL14542579 | 0.74 | HSD17B1 (0.33) | HSD17B1HSD17B2CYP3A4 | |
| SCHEMBL23048437 | 0.74 | RAB9A (0.40) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL10071924 | 0.73 | APP (0.47) | APPHSD17B1HSD17B2CYP3A4KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3369719-B1 | SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-02-26 | — | — | EP | disclosed |