Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 9/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9017375 | 0.89 | THRB (0.49) | THRBTHRACA2CA1CA12 | |
| SCHEMBL9704339 | 0.83 | CA2 (0.50) | THRBTHRACA2CA1CA12 | |
| SCHEMBL9305422 | 0.81 | THRB (0.37) | THRBTHRACA2CA1CA12 | |
| SCHEMBL9520362 | 0.80 | THRB (0.41) | THRBTHRACA2ALDH1A1PLA2G2C | |
| SCHEMBL9303342 | 0.78 | THRB (0.38) | THRBTHRACA2CA1CA12 | |
| SCHEMBL11213098 | 0.72 | GAA (0.60) | THRBTHRACA2CA1CA12 | |
| SCHEMBL8878487 | 0.72 | GAA (0.60) | THRBTHRACA2CA1CA12 | |
| SCHEMBL22471791 | 0.72 | GAA (0.60) | THRBTHRACA2CA1CA12 | |
| SCHEMBL2123298 | 0.72 | GAA (0.60) | THRBTHRACA2CA1CA12 | |
| SCHEMBL11131722 | 0.72 | GAA (0.60) | THRBTHRACA2CA1CA12 |
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-5312565-A | Nonlinear optical materials | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 1994-05-17 | — | — | US | disclosed |
| EP-0546113-A1 | NONLINEAR OPTICAL MATERIALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-16 | — | — | EP | disclosed |
| WO-1992003417-A2 | NONLINEAR OPTICAL MATERIALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-03-05 | — | — | WO | disclosed |