Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 6/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 6/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16978731 | 0.94 | TNKS (0.37) | ESR1ESR2TNKSTNKS2LIMK1 | |
| SCHEMBL19916732 | 0.93 | LIMK1 (0.42) | CYP2A6CYP1A2TDP1ESR1ESR2 | |
| SCHEMBL20111015 | 0.91 | ESR1 (0.38) | CYP2A6CYP1A2TDP1ESR1ESR2 | |
| SCHEMBL19916762 | 0.90 | LIMK1 (0.42) | CYP1A2TDP1ESR1ESR2TNKS | |
| SCHEMBL19916761 | 0.90 | LIMK1 (0.42) | CYP1A2TDP1ESR1ESR2TNKS | |
| SCHEMBL10031388 | 0.87 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1CA12MAPT | |
| SCHEMBL10031363 | 0.87 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1CA12MAPT | |
| SCHEMBL17037120 | 0.87 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1CA12MAPT | |
| SCHEMBL19916691 | 0.87 | LIMK1 (0.39) | CYP2A6TDP1ESR1ESR2TNKS | |
| SCHEMBL12796848 | 0.85 | CYP2A6 (0.50) | CYP2A6CYP1A2TDP1CA12MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180062087-A1 | Organic Compound, Organic Semiconductor Material, Organic Thin Film And Method For Producing The Same, Organic Semiconductor Composition, And Organic Semiconductor Device | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2018-03-01 | — | — | US | 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-20180062087-A1 | Organic Compound, Organic Semiconductor Material, Organic Thin Film And Method For Producing The Same, Organic Semiconductor Composition, And Organic Semiconductor Device | PROX1, NONO, PIEZO1 | CYP2A6 1482/4885CYP1A2 68/4885TDP1 2336/4885 |
“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.