Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16582501 | 1.00 | TDP1 (0.49) | TDP1CYP1A2KMT2AALDH1A1HTT | |
| SCHEMBL25860710 | 0.92 | TDP1 (0.46) | TDP1CYP1A2KMT2AALDH1A1HTT | |
| SCHEMBL11584234 | 0.84 | TDP1 (0.50) | TDP1CYP1A2KMT2AALDH1A1HTT | |
| SCHEMBL5861107 | 0.82 | KMT2A (0.50) | TDP1CYP1A2KMT2AALDH1A1GLA | |
| SCHEMBL5861097 | 0.82 | KMT2A (0.50) | TDP1CYP1A2KMT2AALDH1A1GLA | |
| SCHEMBL11617249 | 0.82 | CYP1A2 (0.46) | TDP1CYP1A2KMT2AALDH1A1HTT | |
| SCHEMBL11948863 | 0.82 | KMT2A (0.50) | TDP1CYP1A2KMT2AALDH1A1GLA | |
| SCHEMBL13923800 | 0.82 | KMT2A (0.50) | TDP1CYP1A2KMT2AALDH1A1GLA | |
| SCHEMBL13952527 | 0.81 | ALDH1A1 (0.44) | TDP1CYP1A2KMT2AALDH1A1GLA | |
| SCHEMBL11988772 | 0.81 | CYP1A2 (0.47) | TDP1CYP1A2KMT2AALDH1A1GLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7485744-B2 | Iron-catalyzed allylic alkylation | Universität Dortmund (DE) | 2009-02-03 | — | — | US | disclosed |
| US-20070049770-A1 | Iron-catalyzed allylic alkylation | UNIVERSITAT DORTMUND (DE) | 2007-03-01 | — | — | US | disclosed |