Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ether SCHEMBL7862995 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C9HPGDHSD17B10 | |
| Ether SCHEMBL324618 | 0.90 | ALDH1A1 (0.35) | ALDH1A1CYP2C9HPGDHSD17B10MEN1 | |
| Ether SCHEMBL6581224 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Alcohol SCHEMBL48558 | 0.83 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP2C9HPGDHSD17B10 | |
| Ether SCHEMBL5693230 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL2801167 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL9688867 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL9058622 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL9321955 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL5597265 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MAPK1 |
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-6376488-B1 | SPECIFIC ADRENORECEPTOR ANTAGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA, BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER, AND GYNECOLOGICAL SYNDROMES | ABBOTT LABORATORIES | 2002-04-23 | — | — | US | disclosed |
| WO-2002020533-A2 | BENZOXAZINE ALPHA-1 ADRENERGIC COMPOUNDS | ABBOTT LABORATORIES (US) | 2002-03-14 | — | — | WO | disclosed |