Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Octane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | THRB | P10828 | 2/20 | 0.68 |
| ▸ | HTT | P42858 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
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 SCHEMBL760953 | 0.94 | MEN1 (0.76) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL9213130 | 0.94 | MEN1 (0.76) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL2637519 | 0.94 | MEN1 (0.76) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL2695497 | 0.94 | MEN1 (0.76) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL11759261 | 0.94 | MEN1 (0.76) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL29018295 | 0.94 | MEN1 (0.76) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL2397102 | 0.94 | TSHR (0.78) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL45307 | 0.91 | HTT (0.71) | TSHRMEN1KMT2ATHRBHTT | |
| Alcohol SCHEMBL28837482 | 0.91 | TSHR (0.74) | TSHRMEN1KMT2ATHRBHTT | |
| Heptane SCHEMBL15968856 | 0.91 | TSHR (0.63) | TSHRMEN1KMT2ATHRBHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763620-A | DEHYDRATION OF MERCAPTOALKANOL | HINO YOUICHI (JP) | 1998-06-09 | — | — | US | disclosed |