Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7865391 | 0.92 | HIF1A (0.40) | HIF1ALMNATP53ESR1TRPA1 | |
| Iodide SCHEMBL2029525 | 0.92 | HIF1A (0.43) | HIF1ALMNATP53ESR1TRPA1 | |
| Water SCHEMBL2032977 | 0.92 | HIF1A (0.43) | HIF1ALMNATP53ESR1TRPA1 | |
| Hydrochloric Acid SCHEMBL5087717 | 0.92 | HIF1A (0.43) | HIF1ALMNATP53ESR1TRPA1 | |
| Bromide SCHEMBL5088201 | 0.92 | HIF1A (0.43) | HIF1ALMNATP53ESR1TRPA1 | |
| Phenol SCHEMBL7865420 | 0.88 | HIF1A (0.37) | HIF1ALMNATP53ESR1TRPA1 | |
| Acetic Acid SCHEMBL7874620 | 0.84 | CES2 (0.41) | LMNATSHRMEN1KMT2ACES2 | |
| SCHEMBL4383948 | 0.81 | HIF1A (0.36) | HIF1ALMNATP53ESR1TRPA1 | |
| Benzoic Acid SCHEMBL7874723 | 0.80 | CA2 (0.57) | LMNATSHRMEN1KMT2ACES2 | |
| SCHEMBL7872896 | 0.79 | HIF1A (0.55) | HIF1ALMNATP53ESR1TRPA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |