Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL24899646 | 0.77 | APLNR (0.31) | — | |
| Trimethylammonium SCHEMBL27851714 | 0.74 | APLNR (0.45) | LMNANPC1RAB9A | |
| SCHEMBL30498935 | 0.74 | NAPRT (0.57) | ALDH1A1LMNAHTTSMN1; SMN2HSD17B10 | |
| SCHEMBL670866 | 0.74 | NAPRT (0.57) | ALDH1A1LMNAHTTSMN1; SMN2HSD17B10 | |
| SCHEMBL12457524 | 0.74 | PIK3C3 (0.43) | ALDH1A1LMNAHTTSMN1; SMN2PIK3C3 | |
| SCHEMBL15870163 | 0.73 | PIK3C3 (0.42) | ALDH1A1LMNAHTTSMN1; SMN2PIK3C3 | |
| SCHEMBL26671821 | 0.73 | SMN1; SMN2 (0.42) | ALDH1A1LMNAHTTSMN1; SMN2HSD17B10 | |
| Hydrochloric Acid SCHEMBL29136849 | 0.73 | NAPRT (0.55) | ALDH1A1LMNAHTTSMN1; SMN2HSD17B10 | |
| Hydrochloric Acid SCHEMBL28556626 | 0.73 | NAPRT (0.55) | ALDH1A1LMNAHTTSMN1; SMN2HSD17B10 | |
| SCHEMBL768367 | 0.73 | ALDH1A1 (0.50) | ALDH1A1LMNAHTTSMN1; SMN2PIK3C3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023229380-A1 | HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF | 주식회사 엘지화학 | 2023-11-30 | — | — | WO | disclosed |
| WO-2023284869-A1 | SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-01-19 | — | — | WO | disclosed |
| EP-2918587-B1 | Filamin A binding compounds and their use as anti-inflammatory and analgesic agents | PAIN THERAPEUTICS INC (US) | 2018-04-04 | — | — | EP | disclosed |