Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Styrene. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Styrene SCHEMBL27867074 | 0.89 | TDP1 (0.84) | TDP1SMN1; SMN2TSHRCYP2D6MAPK1 | |
| Styrene SCHEMBL697500 | 0.87 | TDP1 (0.81) | TDP1SMN1; SMN2TSHRCYP2D6MAPK1 | |
| Styrene SCHEMBL7857368 | 0.87 | TDP1 (0.73) | TDP1SMN1; SMN2TSHRCYP2D6ALDH1A1 | |
| Styrene SCHEMBL27791421 | 0.85 | TDP1 (0.70) | TDP1SMN1; SMN2TSHRCYP2D6ALDH1A1 | |
| Styrene SCHEMBL27847794 | 0.85 | TDP1 (0.70) | TDP1SMN1; SMN2TSHRCYP2D6ALDH1A1 | |
| Benzaldehyde SCHEMBL28065597 | 0.84 | SMN1; SMN2 (0.52) | TDP1SMN1; SMN2TSHRCYP2D6MAPK1 | |
| Styrene SCHEMBL5538385 | 0.84 | TDP1 (0.68) | TDP1SMN1; SMN2TSHRCYP2D6ALDH1A1 | |
| SCHEMBL1790582 | 0.83 | TDP1 (0.62) | TDP1SMN1; SMN2CYP2D6MAPK1ALDH1A1 | |
| SCHEMBL13836876 | 0.83 | SMN1; SMN2 (0.73) | TDP1SMN1; SMN2TSHRCYP2D6MAPK1 | |
| SCHEMBL932442 | 0.83 | SMN1; SMN2 (0.73) | TDP1SMN1; SMN2TSHRCYP2D6MAPK1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2288595-B1 | AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF | LAURUS LABS PRIVATE LTD (IN) | 2016-11-02 | — | — | EP | claimed |
| CN-103189109-B | Comprise the non-solid skin conditioning composition of conservative of 12-[(12-hydroxyoctadecanoic acyl group) epoxide] octadecanoid acid | 荷兰联合利华有限公司 | 2016-12-21 | — | — | CN | disclosed |
| US-20160081997-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2016-03-24 | — | — | US | disclosed |
| US-9227935-B2 | Piperidine/piperazine derivatives | JANSSEN PHARMACEUTICAL N.V. (BE) | 2016-01-05 | — | — | US | disclosed |
| US-20150087629-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-03-26 | — | — | US | disclosed |
| US-8946228-B2 | Piperidine/piperazine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2015-02-03 | — | — | US | disclosed |
| EP-2155198-B1 | Piperidine/piperazine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2014-08-13 | — | — | EP | disclosed |
| CN-101678013-B | Piperidine/piperazine derivatives | JANSSEN PHARMACEUTICA NV | 2014-05-07 | — | — | CN | disclosed |
| CN-103189109-A | Leave-on non-solid skin conditioning compositions containing 12-[(12-hydroxyoctadecanoyl)oxy] octadecanoic acid | UNILEVER PLC | 2013-07-03 | — | — | CN | disclosed |
| US-20100210618-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-08-19 | — | — | US | disclosed |
| CN-101678013-A | piperidine/piperazine derivatives | JANSSEN PHARMACEUTICA NV | 2010-03-24 | — | — | CN | disclosed |
| EP-2155198-A2 | PIPERIDINE/PIPERAZINE DERIVATIVES | Janssen Pharmaceutica, N.V. (BE) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008148849-A2 | PIPERIDINE/PIPERAZINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-12-11 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100210618-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | DGAT1, DGAT2, NAT1 | TDP1 2448/4885SMN1; SMN2 4358/4885TSHR 2843/4885 |
| US-20150087629-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | DGAT1, NAT1, SOAT1 | TDP1 2962/4885SMN1; SMN2 4330/4885TSHR 2514/4885 |
| US-20160081997-A1 | PIPERIDINE/PIPERAZINE DERIVATIVES | DGAT1, DGAT2, SOAT1 | TDP1 3171/4885SMN1; SMN2 4337/4885TSHR 2641/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.