Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL31110437 | 0.85 | QDPR (0.47) | — | |
| Hydrochloric Acid SCHEMBL31110482 | 0.84 | QDPR (0.46) | — | |
| SCHEMBL22928253 | 0.83 | HTR3A (0.46) | HTR1DKCNH2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17950592 | 0.73 | PRMT5 (0.53) | BACE1EPHX2HTR1DPRMT5WDR77 | |
| SCHEMBL30108070 | 0.72 | LRRK2 (0.38) | HRH3KCNH2 | |
| SCHEMBL9306994 | 0.71 | BACE1 (0.44) | BACE1EPHX2HTR1DACMSDHRH3 | |
| SCHEMBL9305009 | 0.71 | BACE1 (0.44) | BACE1EPHX2HTR1DACMSDHRH3 | |
| SCHEMBL23056650 | 0.69 | HTR1D (0.53) | BACE1EPHX2HTR1DPRMT5WDR77 | |
| SCHEMBL30744737 | 0.69 | HTR1D (0.53) | BACE1EPHX2HTR1DPRMT5WDR77 | |
| SCHEMBL24725804 | 0.69 | NISCH (0.35) | — |
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-4536189-A | FUEL ADDITIVE FOR GASOHOL | TEXACO INC. (US) | 1985-08-20 | — | — | US | disclosed |
| US-4376635-A | Novel gasohol or ethanol fuel composition containing as a corrosion inhibitor the reaction product of benzothiazole, formaldehyde and an N-alkyl propylene diamine | TEXACO INC. (US) | 1983-03-15 | — | — | US | disclosed |