Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.30 |
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 SCHEMBL10624113 | 0.92 | TSHR (0.69) | TSHRCYP1A2ALDH1A1LMNATP53 | |
| SCHEMBL27904244 | 0.81 | TSHR (0.42) | TSHRHSD17B10ALDH1A1TP53 | |
| Ethylbenzene SCHEMBL14673071 | 0.80 | TP53 (0.58) | TSHRCYP1A2KDM4EGLACYP2C9 | |
| SCHEMBL19172083 | 0.79 | TSHR (0.58) | TSHRCYP1A2ALDH1A1 | |
| Decane SCHEMBL21433652 | 0.79 | TSHR (0.58) | TSHRCYP1A2ALDH1A1 | |
| Dodecane SCHEMBL10535874 | 0.79 | TSHR (0.58) | TSHRCYP1A2ALDH1A1 | |
| Hexane SCHEMBL8671572 | 0.79 | TSHR (0.58) | TSHRCYP1A2ALDH1A1TP53 | |
| Hexadecane SCHEMBL21433653 | 0.79 | TSHR (0.58) | TSHRCYP1A2ALDH1A1 | |
| Butane SCHEMBL27896739 | 0.79 | TSHR (0.50) | TSHRCYP1A2ALDH1A1LMNATP53 | |
| SCHEMBL14673230 | 0.78 | TSHR (0.50) | TSHRCYP1A2KDM4EGLACYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8604110-B2 | Alkyl aromatic plasticizers and methods of making | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2013-12-10 | — | — | US | disclosed |
| US-20130035431-A1 | ALKYL AROMATIC PLASTICIZERS AND METHODS OF MAKING | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2013-02-07 | — | — | US | 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 (1 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-20130035431-A1 | ALKYL AROMATIC PLASTICIZERS AND METHODS OF MAKING | AOX1, CHRM1, OPRM1 | TSHR 3537/4885CYP1A2 74/4885KDM4E 2020/4885 |
“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.