Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | ACR | P10323 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9799447 | 0.93 | NPC1 (0.53) | ALDH1A1TSHRNPC1LMNANFKB1 | |
| SCHEMBL9458665 | 0.92 | ALDH1A1 (0.57) | ALDH1A1TSHRMAPTKMT2AKDM4E | |
| SCHEMBL9458305 | 0.92 | ALDH1A1 (0.57) | ALDH1A1TSHRMAPTKMT2AKDM4E | |
| SCHEMBL9799608 | 0.91 | TSHR (0.54) | TSHRNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9779497 | 0.91 | TSHR (0.54) | TSHRNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9799611 | 0.91 | TSHR (0.54) | TSHRNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9458329 | 0.91 | ALDH1A1 (0.55) | ALDH1A1TSHRMAPTKMT2AKDM4E | |
| SCHEMBL6872611 | 0.90 | ALDH1A1 (0.52) | ALDH1A1TSHRNPC1LMNANFKB1 | |
| SCHEMBL6872017 | 0.90 | ALDH1A1 (0.52) | ALDH1A1TSHRNPC1LMNANFKB1 | |
| SCHEMBL12408695 | 0.89 | ALDH1A1 (0.51) | ALDH1A1TSHRNPC1LMNANFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6821581-B2 | ESTER DERIVATIVES OF TEREPHTHALIC ACID ESTERS; HAVE A HELICAL TWISTING POWER OF AT LEAST 9; HELICAL PITCH INDUCED DECREASES IN LENGTH WITH AN INCREASE IN TEMPERATURE. | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2004-11-23 | — | — | US | disclosed |
| US-20030124268-A1 | Optically active compound and liquid crystal composition containing the compound | MITSUBISHI GAS CHEMICAL CO., INC. | 2003-07-03 | — | — | US | disclosed |
| EP-1270542-A1 | Optically active compound and liquid crystal composition containing the compound | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2003-01-02 | — | — | EP | 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-20030124268-A1 | Optically active compound and liquid crystal composition containing the compound | CRY1, CRY2, PNP | ALDH1A1 4498/4885TSHR 4000/4885NPC1 366/4885 |
“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.