Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 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 | |
|---|---|---|---|---|
| Thiobarbituric SCHEMBL2455746 | 0.88 | ITGB3 (0.32) | ITGB3ITGB1ITGAVITGA4ALDH1A1 | |
| Thiobarbituric SCHEMBL16027 | 0.87 | — | — | |
| Thiobarbituric SCHEMBL31059040 | 0.87 | GSK3A (0.38) | ITGB3ITGB1ITGAVITGA4ALDH1A1 | |
| Thiobarbituric SCHEMBL8216351 | 0.84 | GSK3A (0.36) | ITGB3ITGB1ITGAVITGA4ALDH1A1 | |
| Thiobarbituric SCHEMBL2351184 | 0.84 | GSK3A (0.36) | ITGB3ITGB1ITGAVITGA4ALDH1A1 | |
| Thiobarbituric SCHEMBL2344775 | 0.84 | GSK3A (0.36) | ITGB3ITGB1ITGAVITGA4ALDH1A1 | |
| Barbituric Acid SCHEMBL28237381 | 0.82 | ALDH1A1 (0.48) | ITGB3ITGB1ITGAVITGA4ALDH1A1 | |
| Barbituric Acid SCHEMBL4726594 | 0.79 | ALDH1A1 (0.44) | ITGB3ITGB1ITGAVITGA4ALDH1A1 | |
| Thiobarbituric SCHEMBL7714190 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP1A2HPGDGSK3AGSK3B | |
| SCHEMBL8028070 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| EP-1742906-A2 | NON-LINEAR OPTICALLY ACTIVE MOLECULES, THEIR SYNTHESIS, AND USE | Optimer Photonics, Inc. (US) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005119315-A2 | NON-LINEAR OPTICALLY ACTIVE MOLECULES, THEIR SYNTHESIS, AND USE | OPTIMER PHOTONICS, INC. (US) | 2005-12-15 | — | — | 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 (2 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-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | INCENP, CYBA, ADCY5 | ITGB3 1468/4885ITGB1 2163/4885ITGAV 3775/4885 |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | INCENP, CYBA, PAICS | ITGB3 1795/4885ITGB1 2735/4885ITGAV 3811/4885 |
“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.