Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butylated Hydroxytoluene. 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 | |
|---|---|---|---|---|
| ▸ | GABBR2 known ✓ | O75899 | 1/20 | 0.47 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.95 |
| ▸ | CA2 | P00918 | 4/20 | 0.95 |
| ▸ | POLB | P06746 | 1/20 | 0.95 |
| ▸ | TYR | P14679 | 1/20 | 0.95 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPN | P05981 | 1/20 | 0.54 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Butylated Hydroxytoluene SCHEMBL453824 | 0.97 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL3950 | 0.97 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL864242 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL20660368 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL31217637 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL7075597 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL4170581 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL9343307 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL11859223 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL11857289 | 0.95 | SMN1; SMN2 (0.95) | SMN1; SMN2ALDH1A1CA2POLBTYR |
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 |
|---|---|---|---|---|---|---|---|
| US-5164503-A | Reduction, hydrolysis | GLAXO GROUP LIMITED (GB) | 1992-11-17 | — | — | US | claimed |
| EP-0234737-B1 | Preparation of piperidinylcyclopentylheptenoic acid derivatives | GLAXO GROUP LTD (GB) | 1994-07-27 | — | — | EP | disclosed |
| US-5164503-A | Reduction, hydrolysis | GLAXO GROUP LIMITED (GB) | 1992-11-17 | — | — | US | disclosed |
| US-4977163-A | Antiasthmatics; cardiovascular disorders | GLAXO GROUP LIMITED (GB) | 1990-12-11 | — | — | US | disclosed |
| US-4835278-A | Preparation of piperidinylcyclopentylheptenoic acid derivatives | GLAXO GROUP LIMITED (GB) | 1989-05-30 | — | — | US | disclosed |
| EP-0234737-A1 | Preparation of piperidinylcyclopentylheptenoic acid derivatives | GLAXO GROUP LIMITED (GB) | 1987-09-02 | — | — | EP | disclosed |
| EP-0069447-B1 | AMINOCYCLOPENTANOL ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION | GLAXO GROUP LIMITED (GB) | 1986-10-29 | — | — | EP | disclosed |
| EP-0069447-A2 | Aminocyclopentanol acids and esters and their preparation and pharmaceutical formulation | GLAXO GROUP LIMITED (GB) | 1983-01-12 | — | — | EP | disclosed |