Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8880889 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4EPTGS1PTGS2NQO2 | |
| SCHEMBL8028621 | 0.87 | KDM4E (0.60) | ALDH1A1KDM4EPTGS1PTGS2NQO2 | |
| SCHEMBL8058606 | 0.84 | PTGS1 (0.47) | ALDH1A1PTGS1PTGS2NQO2HDAC3 | |
| SCHEMBL8058602 | 0.84 | PTGS1 (0.47) | ALDH1A1PTGS1PTGS2NQO2HDAC3 | |
| SCHEMBL11552093 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4EPTGS1PTGS2NQO2 | |
| SCHEMBL11552100 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4EPTGS1PTGS2NQO2 | |
| SCHEMBL6959846 | 0.82 | GAA (0.47) | ALDH1A1KDM4EL3MBTL1GAANPSR1 | |
| SCHEMBL6959838 | 0.82 | GAA (0.47) | ALDH1A1KDM4EL3MBTL1GAANPSR1 | |
| SCHEMBL13539102 | 0.82 | HDAC3 (0.47) | PTGS1PTGS2NQO2HDAC3ADAM17 | |
| SCHEMBL2572526 | 0.82 | MAPT (0.57) | ALDH1A1KDM4ETDP1CYP1A2GLA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652251-A | 6-amino-1,4-dihydropyridine compounds as medicaments for treatment of the central nervous system, and processes for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-29 | — | — | US | disclosed |
| US-5432185-A | Treating patients exhibiting acute or chronic ischaemic disorders associated with disorders of microcirculation, without lowering or increasing blood pressure | BAYER AKTIENGESELLSCHAFT (DE) | 1995-07-11 | — | — | US | disclosed |
| US-5342847-A | Antiischetic agents | BAYER AKTIENGESELLSCHAFT (DE) | 1994-08-30 | — | — | US | disclosed |
| US-5234935-A | Preventing myocardial infarct | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-10 | — | — | US | disclosed |