Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | RORC | P51449 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8692644 | 0.92 | POLB (0.55) | CYP1A2CYP2C19EPHX1ALDH1A1NQO2 | |
| SCHEMBL31203452 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2C19EPHX1ALDH1A1HPGD | |
| SCHEMBL14220634 | 0.87 | CYP2C19 (0.54) | CYP1A2CYP2C19EPHX1ALDH1A1HPGD | |
| SCHEMBL13233342 | 0.83 | CA1 (0.49) | ALDH1A1HPGDMAPTKDM4EL3MBTL1 | |
| SCHEMBL2396852 | 0.82 | ALDH1A1 (0.63) | CYP1A2CYP2C19EPHX1ALDH1A1HPGD | |
| SCHEMBL8290128 | 0.82 | HDAC3 (0.55) | CA1CA2 | |
| SCHEMBL13900420 | 0.82 | CA1 (0.48) | ALDH1A1L3MBTL1HTTPOLBKMT2A | |
| SCHEMBL450618 | 0.82 | CA1 (0.46) | KDM4EL3MBTL1POLBTSHRLMNA | |
| SCHEMBL17537266 | 0.81 | NQO2 (0.55) | HPGDMAPTNQO2KDM4EL3MBTL1 | |
| SCHEMBL4756759 | 0.80 | MEN1 (0.55) | HPGDMAPTKDM4EL3MBTL1TSHR |
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 |