Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21793625 | 0.72 | NPC1 (0.40) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL29558359 | 0.69 | MAOA (0.41) | MAPTKMT2AL3MBTL1MGLL | |
| SCHEMBL9320291 | 0.68 | BRD4 (0.34) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL17726107 | 0.64 | ALDH1A1 (0.39) | NPC1RAB9ASMN1; SMN2MAPK1KMT2A | |
| SCHEMBL143471 | 0.61 | ALDH1A1 (0.90) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL2637802 | 0.61 | ALDH1A1 (0.90) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL827097 | 0.61 | ALDH1A1 (0.90) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL18674172 | 0.61 | ALDH1A1 (0.90) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| Tannin Pyrogallol SCHEMBL21448 | 0.61 | ALDH1A1 (0.90) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL1991754 | 0.61 | ALDH1A1 (0.90) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 |
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-3546453-B1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME | LG CHEMICAL LTD (KR) | 2021-09-08 | — | — | EP | disclosed |