Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 1/20 | 0.65 |
| ▸ | PGR | P06401 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 1/20 | 0.65 |
| ▸ | DRD1 | P21728 | 1/20 | 0.65 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.65 |
| ▸ | PDE4A | P27815 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonamide SCHEMBL2295366 | 0.93 | ACHE (0.53) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL28390298 | 0.87 | KCNH2 (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28372122 | 0.87 | KCNH2 (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL2829737 | 0.87 | ACHE (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL2834622 | 0.87 | ACHE (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29252066 | 0.87 | KCNH2 (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Trifluoromethanesulfonic Acid SCHEMBL712183 | 0.87 | KCNH2 (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29252544 | 0.87 | KCNH2 (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Trifluoromethanesulfonic Acid SCHEMBL16699863 | 0.85 | KCNH2 (0.61) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL3610312 | 0.84 | ACHE (0.61) | ACHECHRM2ADRA2AADORA3CHRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3281930-B1 | ODOUR SAMPLE | DIEHL DEFENCE GMBH & CO KG (DE) | 2020-09-30 | — | — | EP | claimed |
| EP-2583096-B1 | METHOD FOR DETECTING PEROXIDE EXPLOSIVES | UNIV BONN RHEINISCHE FRIEDRICH WILHELMS (DE) | 2019-04-10 | — | — | EP | claimed |
| US-8603270-B2 | Odor samples of peroxidic explosives | RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) | 2013-12-10 | — | — | US | claimed |
| US-20120090744-A1 | ODOR SAMPLES OF PEROXIDIC EXPLOSIVES | Diehl Bgt. Defence GmbH & Co., KG (DE) | 2012-04-19 | — | — | US | claimed |
| US-8603270-B2 | Odor samples of peroxidic explosives | RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) | 2013-12-10 | — | — | US | disclosed |
| US-20120090744-A1 | ODOR SAMPLES OF PEROXIDIC EXPLOSIVES | Diehl Bgt. Defence GmbH & Co., KG (DE) | 2012-04-19 | — | — | US | disclosed |