Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL11578821 | 0.95 | TSHR (0.67) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Butane SCHEMBL27925141 | 0.95 | — | — | |
| Butane SCHEMBL41431 | 0.95 | — | — | |
| Alcohol SCHEMBL9184006 | 0.89 | ALDH1A1 (0.75) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Alcohol SCHEMBL1231994 | 0.89 | — | — | |
| Alcohol SCHEMBL8214730 | 0.89 | — | — | |
| Alcohol SCHEMBL545029 | 0.89 | ALDH1A1 (0.75) | TSHRALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| Butane SCHEMBL2464486 | 0.89 | — | — | |
| Alcohol SCHEMBL6881062 | 0.89 | — | — | |
| Alcohol SCHEMBL8935539 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0056145-B1 | PROCESS FOR THE PRODUCTION OF INORGANIC-ORGANIC FOAMS | Mobay Chemical Corporation (US) | 1985-06-12 | — | — | EP | disclosed |
| US-4355118-A | POLYISOCYANATE, ALKALIMETAL SILICATE, ONIUM COMPOUND | MOBAY CHEMICAL CORPORATION (US) | 1982-10-19 | — | — | US | disclosed |
| EP-0056145-A1 | Process for the production of inorganic-organic foams | Mobay Chemical Corporation (US) | 1982-07-21 | — | — | EP | disclosed |