Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 5/20 | 0.38 |
| ▸ | PIM1 | P11309 | 3/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8391142 | 0.85 | CYP2A6 (0.56) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| 3-Formylindole SCHEMBL27637265 | 0.75 | CYP2A6 (0.96) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| 3-Formylindole SCHEMBL38654556 | 0.72 | CYP2A6 (1.00) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| 3-Formylindole SCHEMBL30782674 | 0.72 | CYP2A6 (1.00) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| 3-Formylindole SCHEMBL56373 | 0.72 | CYP2A6 (1.00) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| 3-Formylindole SCHEMBL30786737 | 0.72 | CYP2A6 (1.00) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| 3-Formylindole SCHEMBL23630272 | 0.71 | CYP2A6 (0.96) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL928747 | 0.71 | ATM (0.52) | IMPDH2PIM3PIM1PIM2 | |
| SCHEMBL4459584 | 0.71 | MPO (0.33) | IMPDH2KMT2A | |
| SCHEMBL4461828 | 0.71 | GPR84 (0.32) | IMPDH2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109851546-B | Acidic pH probe compound and preparation method thereof | 齐鲁工业大学 | 2020-07-14 | — | — | CN | disclosed |
| EP-1379508-B9 | N-(ARYL)-2-ARYLETHENESULFONAMIDES AND THERAPEUTIC USES THEREOF | UNIV TEMPLE (US) | 2011-02-09 | — | — | EP | disclosed |
| EP-1379508-B1 | N-(ARYL)-2-ARYLETHENESULFONAMIDES AND THERAPEUTIC USES THEREOF | UNIV TEMPLE (US) | 2010-09-01 | — | — | EP | disclosed |
| US-20030236276-A1 | Pyrrolo[2.1-a]isoquinoline derivatives | NIEWOHNER ULRICH (DE) | 2003-12-25 | — | — | US | disclosed |
| US-6646009-B2 | Use against proliferative disorders including cancer, and as a radioprotective compound for normal cells from ionizing radiation | Temple University — Of Commonwealth System of Higher Education | 2003-11-11 | — | — | US | disclosed |
| WO-2003014116-A1 | PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES | BAYER CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |
| WO-2000023444-A1 | 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | ABBOTT LABORATORIES (US) | 2000-04-27 | — | — | WO | disclosed |
| CN-1089606-A | Antiretroviral acyl compounds | CIBA GEIGY AG (CH) | 1994-07-20 | — | — | CN | disclosed |
| CN-1068333-A | Has hydrazine analog derivative of pharmacologically active and preparation method thereof | CIBA GEIGY AG (CH) | 1993-01-27 | — | — | CN | 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-20030236276-A1 | Pyrrolo[2.1-a]isoquinoline derivatives | PDE5A, PDE2A, PDE3A | CYP2A6 1197/4885IMPDH2 21/4885ALDH1A1 162/4885 |
“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.