Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Irinotecan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 known ✓ | P11387 | 6/20 | 0.77 |
| ▸ | GLA | P06280 | 2/20 | 1.00 |
| ▸ | GAA | P10253 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 1.00 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.99 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.99 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.99 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.99 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.99 |
| ▸ | MMP1 | P03956 | 1/20 | 0.99 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.99 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.99 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.99 |
| ▸ | ACHE | P22303 | 1/20 | 0.99 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.99 |
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 | |
|---|---|---|---|---|
| Irinotecan SCHEMBL4450369 | 1.00 | GLA (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL16447653 | 1.00 | GLA (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL29363805 | 1.00 | GLA (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL4033 | 1.00 | GLA (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL359364 | 0.99 | PAX8 (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL572716 | 0.99 | PAX8 (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL30822976 | 0.99 | PAX8 (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL29359605 | 0.99 | PAX8 (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL12313065 | 0.99 | GLA (1.00) | GLAGAAKDM4EALDH1A1LMNA | |
| Irinotecan SCHEMBL131381 | 0.99 | GLA (1.00) | GLAGAAKDM4EALDH1A1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2605764-B1 | Compositions for the treatment of cancer | HOFFMANN LA ROCHE (CH) | 2015-03-18 | — | — | EP | disclosed |
| US-8709419-B2 | Combination therapy | HOFFMANN-LA ROCHE, INC. (US) | 2014-04-29 | — | — | US | disclosed |
| EP-2605764-A1 | COMBINATION ANTI - CANCER THERAPY | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-26 | — | — | EP | disclosed |
| US-20120045433-A1 | COMBINATION THERAPY | DHINGRA KAPIL (US) | 2012-02-23 | — | — | US | disclosed |
| US-20120045434-A1 | COMBINATION THERAPY | HOFFMANN-LA ROCHE INC. | 2012-02-23 | — | — | US | disclosed |
| WO-2012022724-A1 | COMBINATION ANTI - CANCER THERAPY | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-23 | — | — | 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 (2 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-20120045434-A1 | COMBINATION THERAPY | BRAF, EGFR, ERBB2 | TOP1 1648/4885GLA 3213/4885GAA 3937/4885 |
| US-20120045433-A1 | COMBINATION THERAPY | BRAF, TOP1, TOP2A | TOP1 2/4885GLA 4035/4885GAA 4173/4885 |
“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.