Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rubitecan. 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 | 18/20 | 0.75 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.95 |
| ▸ | HTT | P42858 | 2/20 | 0.95 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.95 |
| ▸ | ACHE | P22303 | 1/20 | 0.95 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.95 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | GLA | P06280 | 3/20 | 0.74 |
| ▸ | RECQL | P46063 | 2/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.73 |
| ▸ | RAB9A | P51151 | 2/20 | 0.73 |
| ▸ | BLM | P54132 | 2/20 | 0.73 |
| ▸ | POLB | P06746 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | TP53 | P04637 | 2/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Rubitecan SCHEMBL29379605 | 0.98 | ABCC4 (1.00) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL29383355 | 0.98 | ABCC4 (1.00) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL1652417 | 0.98 | ABCC4 (1.00) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL8640 | 0.98 | ABCC4 (1.00) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL28223445 | 0.98 | ABCC4 (1.00) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL6426025 | 0.98 | ABCC4 (1.00) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL15539941 | 0.98 | ABCC4 (1.00) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL27598505 | 0.95 | ABCC3 (0.89) | ABCC4HTTABCC3ACHEPTGS1 | |
| Rubitecan SCHEMBL28308474 | 0.94 | ABCC4 (0.93) | ABCC4HTTABCC3ACHEPTGS1 | |
| SCHEMBL25932527 | 0.90 | ABCC4 (0.85) | ABCC4HTTABCC3ACHEPTGS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103611166-B | 9-nitrocamptothecin-cyclodextrin clathrate and preparation method thereof and the pharmaceutical composition containing this clathrate | Nanjing University of Chinese Medicine (CN) | 2016-02-24 | — | — | CN | claimed |
| CN-103611166-A | 9-nitrocamptothecin-cyclodextrin inclusion compound and preparation method thereof as well as pharmaceutical composition containing cyclodextrin inclusion compound | UNIV NANJING CHINESE MEDICINE | 2014-03-05 | — | — | CN | claimed |
| CN-103611166-B | 9-nitrocamptothecin-cyclodextrin clathrate and preparation method thereof and the pharmaceutical composition containing this clathrate | Nanjing University of Chinese Medicine (CN) | 2016-02-24 | — | — | CN | disclosed |
| CN-103611166-A | 9-nitrocamptothecin-cyclodextrin inclusion compound and preparation method thereof as well as pharmaceutical composition containing cyclodextrin inclusion compound | UNIV NANJING CHINESE MEDICINE | 2014-03-05 | — | — | CN | disclosed |