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 | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 5/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.51 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | SYK | P43405 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6775479 | 0.96 | SIGMAR1 (0.54) | CTSKSIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL4583683 | 0.82 | POLB (0.65) | CTSKSIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL19844034 | 0.81 | TRPA1 (0.54) | CTSKSIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL4961185 | 0.81 | SIGMAR1 (0.62) | SIGMAR1MMP1MMP3MMP9IDO1 | |
| SCHEMBL6335082 | 0.80 | MEN1 (0.57) | CTSKSIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL3722339 | 0.80 | MEN1 (0.57) | CTSKSIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL5468072 | 0.79 | NPSR1 (0.61) | SIGMAR1MMP1MMP3MMP9IDO1 | |
| SCHEMBL22102023 | 0.79 | NPSR1 (0.61) | SIGMAR1MMP1MMP3MMP9IDO1 | |
| SCHEMBL16214733 | 0.79 | SYK (0.53) | CTSKSYKPOLBMAPT | |
| SCHEMBL15159962 | 0.79 | CTSK (0.59) | CTSKSIGMAR1MMP1MMP3MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6818643-B1 | 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-16 | — | — | US | disclosed |
| WO-2001042245-A1 | NEUROTROPHIC BICYCLIC DIAMIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-14 | — | — | WO | disclosed |