Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | AHR | P35869 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | BCR | P11274 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.52 |
| ▸ | TUBB | P07437 | 1/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL23908231 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRPA1RELACYP1A2 | |
| SCHEMBL10028279 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRPA1RELACYP1A2 | |
| SCHEMBL21738402 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRPA1RELACYP1A2 | |
| SCHEMBL23918546 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CYP2A6TRPA1RELACYP1A2 | |
| SCHEMBL7750911 | 0.94 | ALDH1A1 (0.76) | ALDH1A1CYP2A6TRPA1RELAKDM4E | |
| SCHEMBL1128183 | 0.94 | ALDH1A1 (0.76) | ALDH1A1CYP2A6TRPA1RELAKDM4E | |
| SCHEMBL23918532 | 0.92 | ALDH1A1 (0.58) | ALDH1A1CYP2A6TRPA1RELACYP1A2 | |
| SCHEMBL5491168 | 0.91 | RELA (0.63) | ALDH1A1TRPA1RELACYP1A2CYP1A1 | |
| SCHEMBL21738407 | 0.91 | RELA (0.63) | ALDH1A1TRPA1RELACYP1A2CYP1A1 | |
| SCHEMBL4403050 | 0.91 | RELA (0.63) | ALDH1A1TRPA1RELACYP1A2CYP1A1 |
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-20210319957-A1 | NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS | Tokyo Chemical Industry Co., Ltd. (JP) | 2021-10-14 | — | — | 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-20210319957-A1 | NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS | SLC43A1, SLC26A3, KCNT1 | ALDH1A1 1257/4885CYP2A6 2621/4885TRPA1 126/4885 |
“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.