Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 5/20 | 0.51 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19243110 | 1.00 | ALDH1A1 (0.55) | ALDH1A1MAPTGAAHPGDHTT | |
| SCHEMBL19209371 | 1.00 | ALDH1A1 (0.55) | ALDH1A1MAPTGAAHPGDHTT | |
| SCHEMBL20677750 | 0.85 | MAOB (0.54) | ALDH1A1MAPTGAAHPGDHTT | |
| SCHEMBL20684800 | 0.85 | MAOB (0.54) | ALDH1A1MAPTGAAHPGDHTT | |
| SCHEMBL20677751 | 0.85 | MAOB (0.54) | ALDH1A1MAPTGAAHPGDHTT | |
| SCHEMBL20677730 | 0.85 | RAB9A (0.51) | ALDH1A1MAPTGAAHPGDHTT | |
| SCHEMBL19243107 | 0.85 | RECQL (0.50) | ALDH1A1MAPTHPGDHTTMAOB | |
| SCHEMBL19209337 | 0.85 | RECQL (0.50) | ALDH1A1MAPTHPGDHTTMAOB | |
| SCHEMBL19209338 | 0.85 | RECQL (0.50) | ALDH1A1MAPTHPGDHTTMAOB | |
| SCHEMBL31167601 | 0.81 | ALDH1A1 (0.71) | ALDH1A1MAPTGAAHPGDHTT |
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-20190031665-A1 | DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER | EMCURE PHARMACEUTICALS LIMITED (IN) | 2019-01-31 | — | — | US | disclosed |
| EP-3400226-A1 | DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER | Emcure Pharmaceuticals Limited (IN) | 2018-11-14 | — | — | EP | disclosed |
| WO-2017134555-A1 | DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER | EMCURE PHARMACEUTICALS LIMITED (IN) | 2017-08-10 | — | — | WO | 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-20190031665-A1 | DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER | IDO1, IDO2, TDO2 | ALDH1A1 946/4885MAPT 3786/4885GAA 1304/4885 |
“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.