Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9525800 | 0.81 | KDM4E (0.39) | KDM4EALDH1A1HPGDATMKMT2A | |
| SCHEMBL9525255 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1HPGDATMKMT2A | |
| SCHEMBL9524147 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1HPGDATMKMT2A | |
| Iodide SCHEMBL9524406 | 0.80 | KDM4E (0.38) | KDM4EALDH1A1HPGDATMKMT2A | |
| SCHEMBL9525317 | 0.79 | KDM4E (0.39) | KDM4EALDH1A1HPGDATMKMT2A | |
| SCHEMBL9524584 | 0.77 | KDM4E (0.41) | KDM4EALDH1A1HPGDATMCYP3A4 | |
| Iodide SCHEMBL9525273 | 0.76 | KDM4E (0.36) | KDM4EALDH1A1HPGDATMKMT2A | |
| SCHEMBL9525424 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HPGDKMT2ATDP1 | |
| SCHEMBL9525232 | 0.73 | KDM4E (0.44) | KDM4EALDH1A1HPGDATMKMT2A | |
| SCHEMBL9523896 | 0.72 | KDM4E (0.43) | KDM4EALDH1A1HPGDATMKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |