Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 4/20 | 1.00 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Tetrapropylammonium SCHEMBL59838 | 1.00 | SLC22A1 (1.00) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL9700571 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL9302423 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL49582 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL107528 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL10711977 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL7215871 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL3646532 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| SCHEMBL9934659 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL2531812 | 0.95 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1816120-A1 | Aminonitrile production | INVISTA Technologies S.à.r.l. (US) | 2007-08-08 | — | — | EP | claimed |
| EP-1434758-A1 | AMINONITRILE PRODUCTION | INVISTA Technologies S.à.r.l. (US) | 2004-07-07 | — | — | EP | claimed |
| WO-2003029192-A1 | AMINONITRILE PRODUCTION | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-04-10 | — | — | WO | claimed |
| US-6455723-B1 | Aminonitrile production | E. I. DU PONT DE NEMOURS AND COMPANY | 2002-09-24 | — | — | US | claimed |
| CN-104169278-B | The iso thiazolinium compound of controlling invertebrate pests | 巴斯夫欧洲公司 | 2017-10-24 | — | — | CN | disclosed |
| CN-105473563-A | Isothiazoline compounds substituted with a carbobicyclic group | MERIAL LTD | 2016-04-06 | — | — | CN | disclosed |
| CN-105473584-A | Thiophene- or furan-substituted isothiazoline compounds as pesticides | MERIAL LTD | 2016-04-06 | — | — | CN | disclosed |
| CN-105473583-A | Bicyclyl-substituted isothiazoline compounds | BASF SE | 2016-04-06 | — | — | CN | disclosed |
| CN-105473582-A | ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | MERIAL INC | 2016-04-06 | — | — | CN | disclosed |
| CN-105473564-A | Naphthyl- or isoquinolinyl-substituted isothiazoline compounds | MERIAL LTD | 2016-04-06 | — | — | CN | disclosed |
| CN-104169278-A | Isothiazoline compounds for combating invertebrate pests | BASF SE | 2014-11-26 | — | — | CN | disclosed |
| CN-1273439-C | Aminonitrile production | INVISTA TECH SARL (CH) | 2006-09-06 | — | — | CN | disclosed |
| CN-1556789-A | Aminonitrile production | 纳幕尔杜邦公司 | 2004-12-22 | — | — | CN | disclosed |