Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL466545 | 0.98 | TDP1 (0.63) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL28092341 | 0.87 | HDAC1 (0.58) | TDP1ALDH1A1KMT2AKEAP1NPC1 | |
| SCHEMBL1739439 | 0.86 | TDP1 (0.73) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL29189747 | 0.84 | ALDH1A1 (0.69) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL7597612 | 0.84 | TDP1 (0.59) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| Acetic Acid SCHEMBL29034635 | 0.84 | TDP1 (0.59) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| Benzylacetone SCHEMBL28253796 | 0.83 | ALDH1A1 (0.81) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL1739442 | 0.83 | TDP1 (0.63) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL27621698 | 0.82 | TDP1 (0.68) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| Ammonia Solution, Strong SCHEMBL28199227 | 0.82 | TDP1 (0.58) | TDP1ALDH1A1KMT2AKEAP1FFAR1 |
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-6887398-B1 | Aluminum acetoacetate compounds, the production and use thereof as printing ink additives | RWE-DEA AKTIENGESELLSCHAFT FUR MINERALOEL UND CHEMIE (DE) | 2005-05-03 | — | — | US | disclosed |