Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 6/20 | 0.86 |
| ▸ | HTR2C | P28335 | 1/20 | 0.86 |
| ▸ | MAPT | P10636 | 3/20 | 0.83 |
| ▸ | PPARG | P37231 | 2/20 | 0.83 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.83 |
| ▸ | SLC22A8 | Q8TCC7 | 2/20 | 0.83 |
| ▸ | SLC22A11 | Q9NSA0 | 2/20 | 0.83 |
| ▸ | ALB | P02768 | 1/20 | 0.83 |
| ▸ | PGR | P06401 | 3/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | DAO | P14920 | 1/20 | 0.71 |
| ▸ | SNCA | P37840 | 1/20 | 0.71 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.71 |
| ▸ | APEX1 | P27695 | 2/20 | 0.71 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | PKM | P14618 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL10554693 | 1.00 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL5679457 | 1.00 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL10761869 | 1.00 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9658225 | 1.00 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9371771 | 1.00 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL29587046 | 1.00 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL14594285 | 0.95 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL16118738 | 0.95 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| Butylamine SCHEMBL10382920 | 0.94 | NR1I2 (0.77) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9593004 | 0.93 | NR1I2 (0.86) | NR1I2HTR2CMAPTPPARGSLC22A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116466000-A | Method for rapidly determining 176 PPCPs content in source water | 福建省产品质量检验研究院(福建省缺陷产品召回技术中心) | 2023-07-21 | — | — | CN | disclosed |
| EP-0831869-B1 | DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS | ELIZANOR BIOPHARMACEUTICALS IN (US) | 2006-02-08 | — | — | EP | disclosed |
| EP-0234549-B1 | METHOD FOR PRODUCTION OF CEPHALOSPORIN COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 1992-12-16 | — | — | EP | disclosed |
| EP-0160252-B1 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1992-08-26 | — | — | EP | disclosed |
| US-4980464-A | Method for production of cephalosporin compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-12-25 | — | — | US | disclosed |
| EP-0164122-B1 | CEPHEM COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 1990-09-19 | — | — | EP | disclosed |
| US-4946837-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-08-07 | — | — | US | disclosed |
| US-4826834-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-05-02 | — | — | US | disclosed |
| US-4788185-A | Cephalosporin compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-11-29 | — | — | US | disclosed |
| EP-0234549-A2 | Method for production of cephalosporin compounds | Takeda Chemical Industries, Ltd. (JP) | 1987-09-02 | — | — | EP | disclosed |
| EP-0216385-A2 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1987-04-01 | — | — | EP | disclosed |
| EP-0160969-A2 | Cephem compounds | Takeda Chemical Industries, Ltd. (JP) | 1985-11-13 | — | — | EP | disclosed |
| EP-0160252-A2 | Antibacterial compounds | Takeda Chemical Industries, Ltd. (JP) | 1985-11-06 | — | — | EP | disclosed |