Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1681118 | 0.83 | TSHR (0.51) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL28376224 | 0.81 | TSHR (0.50) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL3249145 | 0.80 | CYP2C9 (0.52) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL10628291 | 0.79 | TSHR (0.48) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL2802204 | 0.78 | TSHR (0.50) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL5873170 | 0.78 | CYP2C19 (0.47) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL27427456 | 0.76 | CYP2C9 (0.49) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL4581429 | 0.76 | CYP2C9 (0.46) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL8561978 | 0.76 | CES2 (0.58) | TSHRCYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL28063686 | 0.75 | HPGDS (0.58) | CYP2C9CES2CES1KEAP1DAO |
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-7067702-B2 | Process for preparing vinyl substituted beta-diketones | THE JOHNS HOPKINS UNIVERSITY (US) | 2006-06-27 | — | — | US | claimed |
| US-20060069288-A1 | Process for preparing vinyl substituted beta-diketones | THE JOHNS HOPKINS UNIVERSITY | 2006-03-30 | — | — | US | claimed |
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-20060069288-A1 | Process for preparing vinyl substituted beta-diketones | VRK1, VRK2, DEK | TSHR 4546/4885CYP2D6 1125/4885CYP2C9 1593/4885 |
“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.