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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 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 | |
|---|---|---|---|---|
| SCHEMBL28092304 | 0.73 | TDP1 (0.38) | KMT2AMEN1GAAATMALDH1A1 | |
| SCHEMBL29150913 | 0.71 | KMT2A (0.64) | KMT2AMEN1GAAESR1ESR2 | |
| SCHEMBL27286890 | 0.71 | CA12 (0.40) | CYP2C9CYP2C19ALDH1A1PKMHSD17B10 | |
| SCHEMBL10633383 | 0.70 | PKM (0.33) | KMT2AMEN1GAAESR1CYP2C9 | |
| SCHEMBL7340052 | 0.70 | POLB (0.49) | KMT2AMEN1GAAESR1ESR2 | |
| SCHEMBL11320357 | 0.70 | TDP1 (0.46) | KMT2AMEN1HTR6ALDH1A1MAPT | |
| SCHEMBL27391100 | 0.70 | CA12 (0.39) | CYP2C9CYP2C19ALDH1A1PKMHSD17B10 | |
| Alcohol SCHEMBL9198849 | 0.70 | GAA (0.43) | KMT2AMEN1GAAESR1ESR2 | |
| SCHEMBL6938283 | 0.69 | KEAP1 (0.45) | KMT2AMEN1GAAESR1ESR2 | |
| SCHEMBL5569847 | 0.69 | KMT2A (0.43) | KMT2AMEN1GAAESR1ESR2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585428-B1 | PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES | UCB BIOPHARMA SPRL (BE) | 2017-05-10 | — | — | EP | claimed |
| CN-103119015-B | Method for resolving nitrogen substituted (S) -5-alkoxy-2-aminotetralin derivatives | UCB PHARMA GMBH (DE) | 2016-01-27 | — | — | CN | claimed |
| US-8981121-B2 | Process for the preparation of nitrogen substituted aminotetralins derivatives | UCB PHARMA GMBH (DE) | 2015-03-17 | — | — | US | claimed |
| EP-2585428-A2 | PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES | UCB Pharma GmbH (DE) | 2013-05-01 | — | — | EP | claimed |
| WO-2011161255-A2 | NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES | UCB PHARMA GMBH (DE) | 2011-12-29 | — | — | WO | claimed |
| EP-2585428-B1 | PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES | UCB BIOPHARMA SPRL (BE) | 2017-05-10 | — | — | EP | disclosed |
| CN-103119015-B | Method for resolving nitrogen substituted (S) -5-alkoxy-2-aminotetralin derivatives | UCB PHARMA GMBH (DE) | 2016-01-27 | — | — | CN | disclosed |
| EP-2585428-A2 | PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES | UCB Pharma GmbH (DE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161255-A2 | NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES | UCB PHARMA GMBH (DE) | 2011-12-29 | — | — | WO | disclosed |