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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.86 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL10681218 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL9469573 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL9416629 | 1.00 | — | — | |
| Alcohol SCHEMBL7312211 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL10680148 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL10706495 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL8628816 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL8943238 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL29774 | 1.00 | — | — | |
| Alcohol SCHEMBL7338968 | 1.00 | TSHR (0.86) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4599337-A | Antiphlogistic/antipyretic/analgesic agents containing theobromine or theophylline derivatives as active ingredient | EISAI CO., LTD. (JP) | 1986-07-08 | — | — | US | disclosed |
| US-4564617-A | VASODILATORS, ANALGESICS | EISAI CO., LTD. (JP) | 1986-01-14 | — | — | US | disclosed |
| US-4543254-A | Antiphlogistic/antipyretic/analgesic agents containing theobromine or theophylline derivatives as active ingredient | EISAI CO., LTD. (JP) | 1985-09-24 | — | — | US | disclosed |
| US-4426383-A | VASODILATION, ANALGESICS, CNS STIMULANTS, ANTIHISTAMINES | EISAI CO., LTD. (JP) | 1984-01-17 | — | — | US | disclosed |