Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Orthocresol. 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 | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL28747710 | 1.00 | TRPA1 (0.50) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL14856303 | 0.97 | TRPA1 (0.48) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL27415541 | 0.95 | TRPA1 (0.46) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL4080689 | 0.92 | TRPA1 (0.48) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL3862455 | 0.92 | TRPA1 (0.57) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL27820516 | 0.91 | TRPA1 (0.43) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL9648880 | 0.90 | TRPA1 (0.46) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL29233113 | 0.90 | KDM4E (0.54) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL18725587 | 0.90 | TRPA1 (0.50) | TRPA1ATMALDH1A1KDM4EHPGD | |
| Orthocresol SCHEMBL27628632 | 0.89 | TRPA1 (0.55) | TRPA1ATMALDH1A1KDM4EHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105826596-B | Preparation method of ionic liquid and secondary battery | 微宏动力系统（湖州）有限公司 | 2020-11-06 | — | — | CN | claimed |
| US-20170077557-A1 | THE PREPARATION METHOD OF IONIC LIQUID AND THE SECONDARY BATTERY | MICROVAST POWER SYSTEMS CO., LTD. (CN) | 2017-03-16 | — | — | US | claimed |
| US-10312551-B2 | Preparation method of ionic liquids and secondary batteries | MICROVAST POWER SYSTEMS CO., LTD. (CN) | 2019-06-04 | — | — | US | disclosed |
| US-20170077557-A1 | THE PREPARATION METHOD OF IONIC LIQUID AND THE SECONDARY BATTERY | MICROVAST POWER SYSTEMS CO., LTD. (CN) | 2017-03-16 | — | — | US | disclosed |
| EP-1399498-A2 | MELT POLYCARBONATE CATALYST SYSTEMS | GENERAL ELECTRIC COMPANY (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002055582-A2 | MELT POLYCARBONATE CATALYST SYSTEMS | GENERAL ELECTRIC COMPANY (US) | 2002-07-18 | — | — | WO | disclosed |