Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15705379 | 0.92 | CHRM2 (0.50) | TAAR1IDO1ALDH1A1CYP2D6DNM1 | |
| SCHEMBL4911510 | 0.91 | MEN1 (0.54) | TAAR1IDO1ALDH1A1CYP2D6ACHE | |
| SCHEMBL5034657 | 0.89 | MEN1 (0.52) | TAAR1IDO1ALDH1A1CYP2D6DNM1 | |
| SCHEMBL5352263 | 0.89 | TAAR1 (0.48) | TAAR1IDO1ALDH1A1CYP2D6ACHE | |
| SCHEMBL4917404 | 0.89 | MEN1 (0.52) | TAAR1IDO1ALDH1A1CYP2D6DNM1 | |
| SCHEMBL4916688 | 0.89 | MEN1 (0.52) | TAAR1IDO1ALDH1A1CYP2D6DNM1 | |
| SCHEMBL14492306 | 0.88 | CHRM2 (0.61) | TAAR1CYP2D6CXCR4CYP1A2CYP3A4 | |
| SCHEMBL20724025 | 0.88 | TAAR1 (0.48) | TAAR1IDO1ALDH1A1CYP2D6ACHE | |
| SCHEMBL27451191 | 0.87 | TAAR1 (0.47) | TAAR1IDO1ALDH1A1CYP2D6ACHE | |
| SCHEMBL14492274 | 0.87 | LMNA (0.56) | ALDH1A1CYP2D6KDM4EHPGDCYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2993198-B1 | XYLYLENEDIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN | MITSUBISHI GAS CHEMICAL CO (JP) | 2017-09-27 | — | — | EP | disclosed |
| US-9562144-B2 | Xylylenediamine composition, and method for producing polyamide resin | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2017-02-07 | — | — | US | disclosed |
| EP-2993198-A1 | XYLYLENEDIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN | Mitsubishi Gas Chemical Company, Inc. (JP) | 2016-03-09 | — | — | EP | disclosed |
| US-20160039993-A1 | XYLYLENEDIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN | MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) | 2016-02-11 | — | — | US | disclosed |
| US-5098810-A | A hydrazone derivative charge transport compound and a pyrrolopyrrole charge generating compound material on a conductive substrate | JAPAT LTD. (CH) | 1992-03-24 | — | — | US | disclosed |
| EP-0089055-B1 | DEAZAPURINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 1987-06-03 | — | — | EP | disclosed |
| US-4571423-A | Substituted 5-aminomethyl-2-acylaminopyrrolo[2,3-d]pyrimidin-4-ones | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 1986-02-18 | — | — | US | disclosed |
| EP-0089055-A2 | Deazapurine derivatives | Takeda Chemical Industries, Ltd. (JP) | 1983-09-21 | — | — | EP | disclosed |