Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | F9 | P00740 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9876284 | 0.87 | ADORA1 (0.42) | CYP2A6CYP2B6ALDH1A1HPGDS1PR4 | |
| SCHEMBL9824831 | 0.76 | PTGS2 (0.40) | PTGS2ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL9826546 | 0.73 | RXRA (0.36) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL2543830 | 0.73 | ALDH1A1 (0.57) | CYP2A6TNFALDH1A1HPGDMCL1 | |
| SCHEMBL14748847 | 0.73 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTGS2ALDH1A1 | |
| SCHEMBL9723228 | 0.71 | PRKCZ (0.46) | CYP2A6CYP2B6CYP2E1TNFPTGS2 | |
| SCHEMBL4037430 | 0.67 | ALDH1A1 (0.54) | CYP2A6TNFALDH1A1HPGDMCL1 | |
| SCHEMBL2745162 | 0.66 | CYP2A6 (0.68) | CYP2A6CYP2B6CYP2E1PTGS2ALDH1A1 | |
| SCHEMBL24063287 | 0.66 | CYP2A6 (0.48) | CYP2A6CYP2B6ALDH1A1HPGDKDM4E | |
| SCHEMBL12270243 | 0.66 | CYP2A6 (0.60) | CYP2A6CYP2B6CYP2E1PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |
| EP-0187015-A2 | Squarilium compound and liquid crystal composition containing the same | MITSUBISHI KASEI CORPORATION (JP) | 1986-07-09 | — | — | EP | disclosed |