Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9528510 | 0.94 | SMN1; SMN2 (0.40) | CYP1A2CYP2C19SMN1; SMN2BLMALDH1A1 | |
| SCHEMBL9525433 | 0.93 | EPHX1 (0.45) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1KDR | |
| SCHEMBL9525362 | 0.92 | BLM (0.43) | CYP1A2CYP2C19SMN1; SMN2BLMALDH1A1 | |
| SCHEMBL9524974 | 0.87 | ALDH1A1 (0.41) | SMN1; SMN2BLMALDH1A1KDRSIRT2 | |
| SCHEMBL9525424 | 0.85 | ALDH1A1 (0.43) | SMN1; SMN2BLMALDH1A1KDRPOLB | |
| SCHEMBL9525236 | 0.85 | ALDH1A1 (0.40) | SMN1; SMN2BLMALDH1A1HDAC4KDR | |
| SCHEMBL9527984 | 0.85 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1HDAC6HTTPOLB | |
| SCHEMBL9524016 | 0.84 | ALDH1A1 (0.41) | CYP1A2CYP2C19SMN1; SMN2BLMALDH1A1 | |
| SCHEMBL9525795 | 0.83 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1HDAC4HTTPOLB | |
| SCHEMBL9525975 | 0.82 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1HDAC4KDRHDAC3 |
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 |