Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778596 | 0.98 | ALDH1A1 (0.60) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| Phthalic Acid SCHEMBL28147268 | 0.81 | ALDH1A1 (0.74) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| SCHEMBL9133477 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| SCHEMBL9133128 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| SCHEMBL9130954 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| SCHEMBL9133227 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| SCHEMBL9133911 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| SCHEMBL14124798 | 0.79 | AKR1C3 (0.55) | ALDH1A1TDP1KDM4EMAPTAKR1C3 | |
| SCHEMBL7994220 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1KDM4EALOX15CA12 | |
| SCHEMBL28007602 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EALOX15CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106117112-A | One prepare (±) 2 azabicyclos [2,2,1] heptan 5 alkene 3 ketone method | 营口三征新科技化工有限公司 | 2016-11-16 | — | — | CN | disclosed |