Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL25564319 | 0.70 | PDK2 (0.58) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL28180592 | 0.70 | PDK2 (0.40) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL6284288 | 0.68 | CA1 (0.33) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL20023635 | 0.67 | PDK2 (0.55) | PDK2ACHEAKR1A1AKR1B1ALDH1A1 | |
| SCHEMBL31538833 | 0.67 | CA1 (0.44) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL22129686 | 0.67 | CA1 (0.48) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL3038641 | 0.67 | CES2 (0.46) | CA1CA2CA7CA9CES2 | |
| SCHEMBL197834 | 0.65 | ACHE (0.47) | ACHEMAPTNFE2L2NOTUMIDO1 | |
| SCHEMBL29547174 | 0.65 | ACHE (0.47) | ACHEMAPTNFE2L2NOTUMIDO1 | |
| SCHEMBL5015496 | 0.65 | CES2 (0.43) | CA1CA2CA7CA9CES2 |
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-7087272-B2 | negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements | MERCK PATENT GMBH (DE) | 2006-08-08 | — | — | US | disclosed |
| US-20040106798-A1 | negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements | MERCK PATENT GMBH (DE) | 2004-06-03 | — | — | 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-20040106798-A1 | negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements | H1-0, F3, H1-2 | PDK2 1158/4885CA1 672/4885CA2 816/4885 |
“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.