Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4630447 | 0.87 | CYP3A4 (0.77) | CYP3A4ALDH1A1LMNAPARP1NPC1 | |
| Acetic Acid Methyl Ester SCHEMBL28753640 | 0.85 | ALDH1A1 (0.74) | CYP3A4ALDH1A1PARP1MTNR1AMTNR1B | |
| Acetoacetic Acid SCHEMBL11500569 | 0.85 | TP53 (0.68) | CYP3A4ALDH1A1LMNANPC1RAB9A | |
| Acetoacetic Acid SCHEMBL11221256 | 0.80 | TDP1 (0.57) | CYP3A4ALDH1A1PARP1MTNR1AMTNR1B | |
| SCHEMBL66692 | 0.79 | — | — | |
| SCHEMBL29371962 | 0.79 | — | — | |
| 3-Aminophenol SCHEMBL11499738 | 0.79 | ALDH1A1 (0.59) | CYP3A4ALDH1A1PARP1CYP1A2NPC1 | |
| Acetoacetic Acid SCHEMBL11499715 | 0.79 | ALDH1A1 (0.46) | ALDH1A1LMNAPARP1NPC1TP53 | |
| SCHEMBL11499739 | 0.78 | CYP3A4 (0.47) | CYP3A4ALDH1A1LMNATP53MEN1 | |
| 3-Aminobenzoic Acid SCHEMBL11499531 | 0.78 | PBRM1 (0.51) | ALDH1A1LMNACYP1A2NPC1RAB9A |
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-4225492-A | Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines | CASSELLA AKTIENGESELLSCHAFT (DE) | 1980-09-30 | — | — | US | disclosed |