Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 5/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 3/20 | 0.33 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8395124 | 0.78 | GSTP1 (0.50) | CYP3A4ALDH1A1ERN1MEN1KMT2A | |
| SCHEMBL8398603 | 0.75 | ERN1 (0.46) | ALDH1A1ERN1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8399950 | 0.75 | ERN1 (0.46) | ALDH1A1ERN1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7276534 | 0.72 | HTR1A (0.47) | CYP3A4ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL10488789 | 0.71 | CYP1A2 (0.48) | ALDH1A1POLB | |
| SCHEMBL151957 | 0.69 | CYP3A4 (1.00) | CYP3A4TDP1ALDH1A1KDM4EMEN1 | |
| SCHEMBL3067225 | 0.69 | ERN1 (0.53) | TDP1ALDH1A1ERN1SMN1; SMN2MAPT | |
| SCHEMBL27798142 | 0.68 | CYP3A4 (0.96) | CYP3A4TDP1ALDH1A1KDM4EMEN1 | |
| Methane SCHEMBL28326322 | 0.68 | CYP3A4 (0.96) | CYP3A4TDP1ALDH1A1KDM4EMEN1 | |
| SCHEMBL6922628 | 0.68 | CYP1A2 (0.55) | CYP3A4TDP1ALDH1A1ERN1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0276552-A1 | 1,4-dihydropyridine derivatives and their production | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-08-03 | — | — | EP | disclosed |