Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8037764 | 0.85 | ALDH1A1 (0.60) | NPC1RAB9AMAPTGAAHSD11B1 | |
| SCHEMBL8035637 | 0.81 | L3MBTL1 (0.47) | NPC1RAB9AMAPTHSD11B1ALDH1A1 | |
| SCHEMBL27704908 | 0.81 | MAPT (0.47) | NPC1RAB9AMAPTGAAHSD11B1 | |
| SCHEMBL5208103 | 0.80 | LDHA (0.55) | NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL248073 | 0.77 | NPC1 (0.73) | NPC1RAB9AMAPTHSD11B1CES2 | |
| SCHEMBL1304210 | 0.75 | NPC1 (1.00) | NPC1RAB9AMAPTHSD11B1CES2 | |
| SCHEMBL12373188 | 0.74 | LMNA (0.51) | NPC1RAB9AMAPTGAAACHE | |
| SCHEMBL9235272 | 0.74 | LTA4H (0.55) | NPC1RAB9AMAPTACHEALDH1A1 | |
| SCHEMBL9235270 | 0.74 | LTA4H (0.55) | NPC1RAB9AMAPTACHEALDH1A1 | |
| SCHEMBL6519690 | 0.74 | NPC1 (0.45) | NPC1RAB9AMAPTHSD11B1CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1082370-C | Pharmaceutical composition containing 4-oxo-butyric acid | MERCK PATENT GMBH (DE) | 2002-04-10 | — | — | CN | disclosed |
| EP-0925273-B1 | PHARMACEUTICAL COMPOSITION CONTAINING 4-OXO-BUTYNIC ACIDS | MERCK PATENT GMBH (DE) | 2001-11-07 | — | — | EP | disclosed |
| US-6143787-A | HETEROCYCLIC OR AROMATIC OXOACIDS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2000-11-07 | — | — | US | disclosed |
| EP-0925273-A1 | PHARMACEUTICAL COMPOSITION CONTAINING 4-OXO-BUTYNIC ACIDS | MERCK PATENT GmbH (DE) | 1999-06-30 | — | — | EP | disclosed |
| WO-1998007681-A1 | PHARMACEUTICAL COMPOSITION CONTAINING 4-OXO-BUTYNIC ACIDS | MERCK PATENT GMBH (DE) | 1998-02-26 | — | — | WO | disclosed |