Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GALR3 | O60755 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11649757 | 0.90 | ALDH1A1 (0.50) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL4914101 | 0.89 | ALDH1A1 (0.58) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL2436697 | 0.89 | ALDH1A1 (0.62) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL27485649 | 0.87 | ALDH1A1 (0.49) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL21618379 | 0.87 | XDH (0.53) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL2434889 | 0.87 | ALDH1A1 (0.67) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL11691998 | 0.83 | HTT (0.53) | ALDH1A1PDE7AHTTPOLBMEN1 | |
| SCHEMBL9955003 | 0.83 | XDH (0.60) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL8097726 | 0.82 | NT5E (0.45) | ALDH1A1PDE7AHTTPOLBCYP3A4 | |
| SCHEMBL13724896 | 0.81 | CYP19A1 (0.50) | ALDH1A1PDE7AHTTPOLBCYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4060544-A | COUPLERS | GAF CORPORATION (US) | 1977-11-29 | — | — | US | disclosed |
| US-4059402-A | SUBLIMATION, MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-22 | — | — | US | disclosed |
| US-4039524-A | Keto-amido containing phenylazo benzothiazole dyestuffs | GAF CORPORATION (US) | 1977-08-02 | — | — | US | disclosed |
| US-4005199-A | Substituted benzenesulfonamides as anthelmintics | MERCK & CO., INC. (US) | 1977-01-25 | — | — | US | disclosed |
| US-3987199-A | PARASITICIDES | MERCK & CO., INC. (US) | 1976-10-19 | — | — | US | disclosed |