Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3811251 | 0.76 | MEN1 (0.41) | CPA1ALDH1A1TDP1FAAHTSHR | |
| SCHEMBL26023834 | 0.73 | CPA1 (0.38) | CPA1TSHR | |
| SCHEMBL36990 | 0.73 | CYP2C19 (0.59) | CA2ALDH1A1TDP1CYP2C19ACHE | |
| SCHEMBL10834211 | 0.73 | CYP2C19 (0.59) | CA2ALDH1A1TDP1CYP2C19ACHE | |
| SCHEMBL3580961 | 0.72 | — | — | |
| SCHEMBL11374957 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL11697090 | 0.70 | — | — | |
| SCHEMBL11695009 | 0.70 | — | — | |
| SCHEMBL11695003 | 0.70 | — | — | |
| SCHEMBL9659709 | 0.70 | CYP2C19 (0.56) | CA2ALDH1A1TDP1CYP2C19ACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4248873-A | Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-03 | — | — | US | disclosed |
| EP-0002208-A1 | Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture | BAYER AG (DE) | 1979-06-13 | — | — | EP | disclosed |
| US-4124608-A | Preparation of 2-oxoalkanoic acids | TEXACO INC. (US) | 1978-11-07 | — | — | US | disclosed |