Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10341239 | 0.81 | CYP1A2 (0.48) | CYP2A6CYP1A2RAB9AAGXTTDP1 | |
| SCHEMBL5553506 | 0.77 | CYP2A6 (0.58) | CYP2A6CYP1A2RAB9AAGXTTDP1 | |
| SCHEMBL507062 | 0.76 | CA4 (0.42) | L3MBTL1 | |
| SCHEMBL4968963 | 0.76 | CYP2A6 (0.56) | CYP2A6CYP1A2AGXTTDP1MAPK1 | |
| SCHEMBL8091594 | 0.73 | SMN1; SMN2 (0.43) | RAB9ATDP1L3MBTL1 | |
| SCHEMBL9487129 | 0.73 | LTA4H (0.55) | RAB9AHTT | |
| SCHEMBL10337620 | 0.73 | RAB9A (0.55) | RAB9AAGXTKDM4EPPARGPPARA | |
| SCHEMBL111274 | 0.72 | AGXT (0.63) | CYP2A6CYP1A2RAB9AAGXTTDP1 | |
| SCHEMBL17629449 | 0.72 | AGXT (0.63) | CYP2A6CYP1A2RAB9AAGXTTDP1 | |
| SCHEMBL29357645 | 0.72 | AGXT (0.63) | CYP2A6CYP1A2RAB9AAGXTTDP1 |
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 |