Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Gimatecan. 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 | 19/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | GLA | P06280 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | STAT6 | P42226 | 1/20 | 0.62 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.62 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.62 |
| ▸ | GMNN | O75496 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | HNRNPA1 | P09651 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Gimatecan SCHEMBL24685122 | 1.00 | TOP1 (0.79) | TOP1ALDH1A1GLAMEN1KMT2A | |
| Gimatecan SCHEMBL15341182 | 1.00 | TOP1 (0.79) | TOP1ALDH1A1GLAMEN1KMT2A | |
| Gimatecan SCHEMBL1649254 | 1.00 | TOP1 (0.79) | TOP1ALDH1A1GLAMEN1KMT2A | |
| Gimatecan SCHEMBL130586 | 1.00 | TOP1 (0.79) | TOP1ALDH1A1GLAMEN1KMT2A | |
| Gimatecan SCHEMBL29358288 | 1.00 | TOP1 (0.79) | TOP1ALDH1A1GLAMEN1KMT2A | |
| SCHEMBL3181051 | 0.93 | TOP1 (0.76) | TOP1ALDH1A1GLAMEN1KMT2A | |
| SCHEMBL25932531 | 0.92 | TOP1 (0.68) | TOP1ALDH1A1GLAMEN1KMT2A | |
| SCHEMBL22843988 | 0.92 | TOP1 (0.81) | TOP1ALDH1A1GLAMEN1KMT2A | |
| SCHEMBL2028767 | 0.92 | TOP1 (0.81) | TOP1ALDH1A1GLAMEN1KMT2A | |
| SCHEMBL2028388 | 0.92 | TOP1 (0.85) | TOP1ALDH1A1GLAMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111529497-A | Gemastecan drug solid dispersion composition and preparation method thereof | 兆科（广州）肿瘤药物有限公司 | 2020-08-14 | — | — | CN | disclosed |
| CN-101232872-A | Formulations for 7-(t-butoxy)iminomethyl camptothecin | NOVARTIS AG (CH) | 2008-07-30 | — | — | CN | disclosed |