Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | HTR6 | P50406 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL3138344 | 0.92 | CYP1A2 (0.62) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL1952761 | 0.90 | CYP1A2 (0.68) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL30668497 | 0.88 | CYP1A2 (0.62) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL10061484 | 0.88 | CYP1A2 (0.62) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL17501853 | 0.88 | KDM4E (0.68) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL10061482 | 0.87 | CYP1A2 (0.68) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL30668502 | 0.87 | CYP1A2 (0.68) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL15684124 | 0.87 | CYP1A2 (0.68) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL12608238 | 0.86 | CYP2C19 (0.72) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL12456328 | 0.86 | CYP2C19 (0.72) | CYP1A2CYP2C19MAPTKDM4EGAA |
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 |