Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.37 |
| ▸ | GLRB | P48167 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8655042 | 0.83 | CYP2C19 (0.49) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| SCHEMBL31305636 | 0.82 | CYP2C19 (0.55) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| SCHEMBL10819121 | 0.82 | CYP2C19 (0.47) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| SCHEMBL833037 | 0.78 | CYP2C19 (0.70) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| SCHEMBL8654954 | 0.78 | SMN1; SMN2 (0.44) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| SCHEMBL2680047 | 0.75 | ALDH1A1 (0.52) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| SCHEMBL11141922 | 0.73 | CA2 (0.54) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| SCHEMBL11518107 | 0.73 | CYP1A2 (0.50) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| Butylated Hydroxytoluene SCHEMBL20982068 | 0.73 | ALDH1A1 (0.72) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 | |
| Butylated Hydroxytoluene SCHEMBL11647738 | 0.73 | ALDH1A1 (0.72) | CYP2C19CYP2C9HIF1ASMN1; SMN2TP53 |
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-5723694-A | REACTION OF FORMALDEHYDE WITH PHENOL AND CATALYTIC HYDROGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1998-03-03 | — | — | US | disclosed |