Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | LATS1 | O95835 | 1/20 | 0.36 |
| ▸ | FPR3 | P25089 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL571043 | 0.96 | TDP1 (0.52) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL21065336 | 0.86 | TDP1 (0.52) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL10049407 | 0.84 | TDP1 (0.47) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL20283253 | 0.83 | TDP1 (0.36) | TDP1MEN1KMT2AGAA | |
| SCHEMBL22849847 | 0.81 | TDP1 (0.44) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL1696844 | 0.81 | TDP1 (0.53) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL1105764 | 0.80 | TDP1 (0.52) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL22725572 | 0.79 | TDP1 (0.43) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL17236065 | 0.79 | TDP1 (0.43) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL25448080 | 0.78 | KDM4E (0.39) | MEN1KMT2AGAAALDH1A1TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0830136-B1 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIV HAWAII (US) | 2004-10-20 | — | — | EP | disclosed |
| US-6180679-B1 | PARASITICIDE | ELI LILLY AND COMPANY | 2001-01-30 | — | — | US | disclosed |
| EP-0830136-A4 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIV HAWAII (US) | 2001-01-24 | — | — | EP | disclosed |
| US-6013626-A | TO INHIBIT THE PROLIFERATION OF MAMMALIAN CELLS; ANTITUMOR AGENTS | THE UNIVERSITY OF HAWAII (US) | 2000-01-11 | — | — | US | disclosed |
| EP-0870506-A1 | Compositions comprising a cryptophycin compound in combination with a synchronizing or activating agent for treating cancer | ELI LILLY AND COMPANY (US) | 1998-10-14 | — | — | EP | disclosed |
| EP-0870510-A2 | Synergistic combination comprising cryptophycin derivatives and microtubule synergizing agents | ELI LILLY AND COMPANY (US) | 1998-10-14 | — | — | EP | disclosed |
| EP-0830136-A1 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIVERSITY OF HAWAII (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040184-A1 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIVERSITY OF HAWAII (US) | 1996-12-19 | — | — | WO | disclosed |