Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11615675 | 0.94 | SLC18A3 (0.40) | RAB9ASLC18A3ESR2ALDH1A1MAPT | |
| SCHEMBL10343265 | 0.84 | NPC1 (0.54) | NPC1RAB9ASLC18A3FFAR1ALDH1A1 | |
| SCHEMBL10343264 | 0.84 | NPC1 (0.54) | NPC1RAB9ASLC18A3FFAR1ALDH1A1 | |
| SCHEMBL11161287 | 0.79 | LRRK2 (0.40) | NPC1RAB9ALRRK2ALDH1A1MAPT | |
| SCHEMBL11161288 | 0.79 | LRRK2 (0.40) | NPC1RAB9ALRRK2ALDH1A1MAPT | |
| SCHEMBL30909 | 0.79 | ESR2 (0.41) | ESR2ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL1405569 | 0.78 | ESR2 (0.50) | RAB9ASLC18A3ESR2ALDH1A1MAPT | |
| SCHEMBL11280912 | 0.77 | ESR2 (0.59) | NPC1RAB9ASLC18A3FFAR1LRRK2 | |
| SCHEMBL7733708 | 0.77 | KDM4E (0.39) | SLC18A3ESR2ALDH1A1KDM4EJAK2 | |
| SCHEMBL7733705 | 0.77 | KDM4E (0.39) | SLC18A3ESR2ALDH1A1KDM4EJAK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3487955-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-05-20 | — | — | EP | disclosed |
| EP-3475389-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |
| WO-2019243216-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-12-26 | — | — | WO | disclosed |
| WO-2018015320-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | WO | disclosed |