Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CPA1 | P15085 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 4/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1144353 | 0.87 | CYP1A2 (0.50) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Bicarbonate SCHEMBL11663344 | 0.87 | CYP1A2 (0.50) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL328882 | 0.85 | TSHR (0.48) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL133341 | 0.85 | TSHR (0.48) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Oxalic Acid SCHEMBL10577823 | 0.85 | CYP1A2 (0.48) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL9467718 | 0.83 | TSHR (0.47) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Propionic Acid SCHEMBL1399930 | 0.83 | CYP1A2 (0.47) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL10484555 | 0.83 | CYP1A2 (0.47) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL328881 | 0.83 | TSHR (0.47) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL27993794 | 0.83 | TSHR (0.47) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 |
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-4496709-A | REACTING AN EPOXIDE WITH A DIHYDRIC PHENOL OR A THIOPHENOLIC COMPOUND | THE DOW CHEMICAL COMPANY (US) | 1985-01-29 | — | — | US | claimed |