Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 7/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305422 | 0.86 | THRB (0.37) | THRBTHRANR1I2PLA2G2CCYP2C19 | |
| SCHEMBL9303466 | 0.78 | THRB (0.41) | THRBTHRAKMT2ANR1I2PLA2G2C | |
| SCHEMBL9693132 | 0.73 | CRBN (0.49) | — | |
| SCHEMBL9520362 | 0.71 | THRB (0.41) | THRBTHRANR1I2PLA2G2CCYP2C19 | |
| SCHEMBL9017375 | 0.67 | THRB (0.49) | THRBTHRAPOLBKMT2ACYP2C19 | |
| SCHEMBL28447913 | 0.65 | NR1I2 (0.55) | THRBTHRANR1I2CYP2C19MMP13 | |
| SCHEMBL28452673 | 0.65 | NR1I2 (0.55) | THRBTHRANR1I2CYP2C19MMP13 | |
| SCHEMBL14379397 | 0.65 | PLCG1 (0.59) | THRBTHRAPOLBKMT2ACYP2C19 | |
| SCHEMBL8164968 | 0.65 | ALDH1A1 (0.65) | THRBTHRAPOLBKMT2ACYP2C19 | |
| SCHEMBL10300267 | 0.64 | THRB (0.55) | THRBTHRACYP2C19MMP13MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0546113-A1 | NONLINEAR OPTICAL MATERIALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-16 | — | — | EP | claimed |
| 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 |