Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Toluene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL9801436 | 1.00 | LMNA (0.50) | LMNATSHRALDH1A1ALOX12ACHE | |
| Toluene SCHEMBL11558249 | 0.98 | LMNA (0.52) | LMNATSHRALDH1A1ALOX12ACHE | |
| Toluene SCHEMBL1158310 | 0.98 | LMNA (0.52) | LMNATSHRALDH1A1ALOX12ACHE | |
| Toluene SCHEMBL10674880 | 0.95 | LMNA (0.50) | LMNATSHRALDH1A1ALOX12ACHE | |
| Toluene SCHEMBL27756739 | 0.95 | LMNA (0.50) | LMNATSHRALDH1A1ALOX12ACHE | |
| O-Xylene SCHEMBL28310549 | 0.91 | TSHR (0.46) | LMNATSHRALDH1A1ALOX12ACHE | |
| Toluene SCHEMBL11460206 | 0.91 | SMN1; SMN2 (0.55) | LMNATSHRALDH1A1ALOX12ACHE | |
| Toluene SCHEMBL20568019 | 0.91 | LMNA (0.55) | LMNATSHRALOX12ACHEPCSK9 | |
| Cetyl Alcohol SCHEMBL29044103 | 0.89 | LMNA (0.56) | LMNATSHRALDH1A1ALOX12ACHE | |
| 1-Hexanol SCHEMBL9342119 | 0.89 | LMNA (0.56) | LMNATSHRALDH1A1ALOX12ACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10401542-B2 | Infrared light shielding laminate and infrared light shielding material using same | MITSUBISHI MATERIALS CORPORATION (JP) | 2019-09-03 | — | — | US | disclosed |
| US-20170307792-A1 | INFRARED LIGHT SHIELDING LAMINATE AND INFRARED LIGHT SHIELDING MATERIAL USING SAME | MITSUBISHI MATERIALS CORPORATION (JP) | 2017-10-26 | — | — | US | disclosed |
| US-4962013-A | PHOTOSTABILITY, WEATHERPROOFING | NISSAN MOTOR CO., LTD. YOKOHAMA (JP) | 1990-10-09 | — | — | US | disclosed |
| US-4116973-A | DEHYDROINDIGO DI(ALKYL ACYLATES), COLOR PRODUCING | NCR CORPORATION (US) | 1978-09-26 | — | — | US | disclosed |
| US-3978270-A | DEHYDROINDIGO DI(ALKYL ACYLATES) | NCR CORPORATION (US) | 1976-08-31 | — | — | US | disclosed |