Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | BCKDK | O14874 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL6561368 | 0.78 | CYP2A6 (0.57) | CYP2A6TYMSF11DAOALDH1A1 | |
| SCHEMBL9244984 | 0.77 | CYP2A6 (0.54) | CYP2A6TYMSF11ESR1ESR2 | |
| SCHEMBL12205409 | 0.76 | CYP2A6 (0.55) | CYP2A6TYMSF11DAOALDH1A1 | |
| Hydrochloric Acid SCHEMBL29200220 | 0.76 | CYP2A6 (0.52) | CYP2A6TYMSF11ESR1ESR2 | |
| SCHEMBL15352196 | 0.74 | CYP2A6 (0.48) | CYP2A6TYMSF11DAOESR1 | |
| SCHEMBL3823814 | 0.74 | TSHR (0.50) | CYP2A6TYMSESR1ESR2ALDH1A1 | |
| SCHEMBL11057827 | 0.74 | POLB (0.46) | CYP2A6TYMSESR1ESR2ALDH1A1 | |
| SCHEMBL11141475 | 0.74 | ESR1 (0.61) | CYP2A6ESR1ESR2ALDH1A1 | |
| SCHEMBL29967129 | 0.74 | TDP1 (0.53) | CYP2A6TYMSF11ALDH1A1RXFP1 | |
| SCHEMBL4630777 | 0.73 | CYP2A6 (0.60) | CYP2A6ALDH1A1POLBMAOB |
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-20090306376-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME | MITSUI CHEMICALS, INC. (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20070054084-A1 | Optical recording medium and compound used for the same | MITSUI CHEMICALS, INC. (JP) | 2007-03-08 | — | — | US | disclosed |
| EP-1672626-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM | Mitsui Chemicals, Inc. (JP) | 2006-06-21 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090306376-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME | CACNA1B, KCNN4, KCNN2 | CYP2A6 4014/4885TYMS 4075/4885F11 3202/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.