Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL4362988 | 0.86 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ASLC6A2TAAR1CES2 | |
| SCHEMBL14935688 | 0.86 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ASLC6A2TAAR1CES2 | |
| SCHEMBL28243868 | 0.86 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ASLC6A2TAAR1CES2 | |
| SCHEMBL10831201 | 0.75 | SLC6A2 (0.55) | SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1 | |
| Acetic Acid SCHEMBL5573467 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2HIF1ASLC6A2TAAR1CPA1 | |
| SCHEMBL8762142 | 0.75 | TRPA1 (0.46) | SMN1; SMN2HIF1ASLC6A2TAAR1CPA1 | |
| SCHEMBL7797910 | 0.75 | TRPA1 (0.46) | SMN1; SMN2HIF1ASLC6A2TAAR1CPA1 | |
| SCHEMBL3891306 | 0.73 | BLM (0.56) | SMN1; SMN2HIF1AALDH1A1RECQLCYP3A4 | |
| SCHEMBL3891311 | 0.73 | BLM (0.56) | SMN1; SMN2HIF1AALDH1A1RECQLCYP3A4 | |
| SCHEMBL10078943 | 0.73 | SLC6A2 (0.57) | SMN1; SMN2HIF1ASLC6A2TAAR1ALDH1A1 |
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 |