Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL8722577 | 0.87 | MAPK1 (0.46) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Pentane SCHEMBL28256229 | 0.87 | MAPK1 (0.46) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Pyridine SCHEMBL28069187 | 0.85 | KCNH2 (0.36) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Hexane SCHEMBL28257785 | 0.84 | GNAI3 (0.45) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Hexane SCHEMBL28369310 | 0.84 | GNAI3 (0.45) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Hexane SCHEMBL28473799 | 0.82 | GNAI3 (0.44) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Heptane SCHEMBL28446488 | 0.82 | GNAI3 (0.48) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Octane SCHEMBL28374514 | 0.82 | GNAI3 (0.48) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Heptane SCHEMBL28269004 | 0.82 | GNAI3 (0.48) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 | |
| Octane SCHEMBL28256209 | 0.82 | GNAI3 (0.48) | ALDH1A1MAPK1SIGMAR1CYP1A2CHRM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6472384-B1 | Antimicrobial compounds | SANKYO COMPANY, LIMITED (JP) | 2002-10-29 | — | — | US | disclosed |
| US-4324716-A | -POLYURETHANE FOAMS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | US | disclosed |
| EP-0012845-A1 | Tetrahydroisoquinoline compounds, process for preparing same and pharmaceutical compositions containing them | Tanabe Seiyaku Co., Ltd. (JP) | 1980-07-09 | — | — | EP | disclosed |
| US-3978125-A | TERTIARY AMINE-OXYMETHYLENE AMIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-31 | — | — | US | disclosed |