Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27264740 | 0.92 | ALDH1A1 (0.48) | CYP1A2HPRT1CYP3A4CYP17A1CYP11B1 | |
| SCHEMBL27594916 | 0.84 | HPRT1 (0.50) | CYP1A2HPRT1CYP3A4LMNAMAPT | |
| SCHEMBL12473664 | 0.83 | HPRT1 (0.64) | CYP1A2HPRT1MAPTERBB2FYN | |
| SCHEMBL27289927 | 0.83 | HPRT1 (0.64) | CYP1A2HPRT1MAPTERBB2FYN | |
| Chloromethane SCHEMBL27456884 | 0.82 | HPRT1 (0.56) | CYP1A2HPRT1MAPTALDH1A1HSD17B10 | |
| SCHEMBL27740848 | 0.81 | HPRT1 (0.53) | CYP1A2HPRT1CYP3A4ERBB2FYN | |
| SCHEMBL27286665 | 0.81 | CYP1A2 (0.47) | CYP1A2HPRT1CYP3A4MAPTMAPK1 | |
| SCHEMBL24372659 | 0.81 | HSD17B10 (0.56) | CYP1A2HPRT1CYP3A4LMNAMAPT | |
| SCHEMBL31222433 | 0.81 | HSD17B10 (0.56) | CYP1A2HPRT1CYP3A4LMNAMAPT | |
| SCHEMBL1170838 | 0.81 | CYP1A2 (0.65) | CYP1A2HPRT1MAPTERBB2FYN |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102015641-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2011-04-13 | — | — | CN | disclosed |
| CN-1083432-C | Alpha-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-04-24 | — | — | CN | disclosed |
| CN-1036649-C | Alpha-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-12-10 | — | — | CN | disclosed |
| CN-1027447-C | Insecticidal/acaricidal composition containing alpha-unsaturated amine | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-18 | — | — | CN | disclosed |
| CN-1093083-A | The method for preparing α-unsaturated amine or its salt | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-10-05 | — | — | CN | disclosed |
| CN-1091737-A | The method for preparing amine compound or its salt | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-09-07 | — | — | CN | disclosed |
| CN-1014240-B | Pyridazinone derivatives and process for preparing same | NISSAN CHEMICAL IND LTD (JP) | 1991-10-09 | — | — | CN | disclosed |
| CN-1031079-A | Alpha-unsaturated amines, process for their production and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1989-02-15 | — | — | CN | disclosed |
| CN-86105510-A | The preparation method of pyridazinone derivative and insect-killing composition thereof | NISSAN CHEMICAL IND LTD | 1987-02-11 | — | — | CN | disclosed |