Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8762142 | 1.00 | TRPA1 (0.46) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL10831201 | 0.77 | SLC6A2 (0.55) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL8761557 | 0.76 | SLC6A2 (0.54) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL9583022 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL7795287 | 0.75 | SMN1; SMN2 (0.49) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL15372893 | 0.74 | SLC6A2 (0.57) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL28963920 | 0.74 | SLC6A2 (0.52) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL9582760 | 0.74 | SMN1; SMN2 (0.43) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL4362988 | 0.74 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL14935688 | 0.74 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1159253-A2 | SYNTHESIS OF NITROALCOHOL DIASTEREOMERS | Johnson Matthey Pharmaceutical Materials Inc (US) | 2001-12-05 | — | — | EP | claimed |
| WO-2000050378-A9 | SYNTHESIS OF NITROALCOHOL DIASTEREOMERS | — | 2001-08-23 | — | — | WO | claimed |
| WO-2000050378-A2 | SYNTHESIS OF NITROALCOHOL DIASTEREOMERS | PHARM-ECO LABORATORIES, INC. (US) | 2000-08-31 | — | — | WO | claimed |
| EP-1159253-A2 | SYNTHESIS OF NITROALCOHOL DIASTEREOMERS | Johnson Matthey Pharmaceutical Materials Inc (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000050378-A9 | SYNTHESIS OF NITROALCOHOL DIASTEREOMERS | — | 2001-08-23 | — | — | WO | disclosed |
| WO-2000050378-A2 | SYNTHESIS OF NITROALCOHOL DIASTEREOMERS | PHARM-ECO LABORATORIES, INC. (US) | 2000-08-31 | — | — | WO | disclosed |
| EP-0769003-A1 | AMINO ACID-DERIVED DIAMINOPROPANOLS | Pharmeco Laboratories, Inc. (US) | 1997-04-23 | — | — | EP | disclosed |