Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9133454 | 1.00 | NPC1 (0.50) | NPC1RAB9ALTA4HCES2CES1 | |
| SCHEMBL9133915 | 0.84 | NPC1 (0.55) | NPC1RAB9ALTA4HCES2CES1 | |
| SCHEMBL9133920 | 0.84 | NPC1 (0.55) | NPC1RAB9ALTA4HCES2CES1 | |
| SCHEMBL7466196 | 0.82 | GRIN2B (0.59) | NPC1GRIN2BSIGMAR1NOS2 | |
| SCHEMBL7830039 | 0.82 | GRIN2B (0.59) | NPC1GRIN2BSIGMAR1NOS2 | |
| SCHEMBL5799220 | 0.82 | NPC1 (0.51) | NPC1RAB9ALTA4HCES2CES1 | |
| SCHEMBL15947206 | 0.82 | NPC1 (0.51) | NPC1RAB9ALTA4HCES2CES1 | |
| Hydrochloric Acid SCHEMBL4741316 | 0.79 | GRIN2B (0.67) | NPC1RAB9AGRIN2BL3MBTL1SMN1; SMN2 | |
| SCHEMBL9134225 | 0.78 | NR1I2 (0.52) | CES2CES1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL9134226 | 0.78 | NR1I2 (0.52) | CES2CES1SMN1; SMN2MAPTALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5378702-A | Thiadizinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-01-03 | — | — | US | disclosed |
| EP-0579077-A2 | 1,3,4-Thiadiazinones for the treatment of cardiovascular diseases | MERCK PATENT GmbH (DE) | 1994-01-19 | — | — | EP | disclosed |