Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 3/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | PPME1 | Q9Y570 | 1/20 | 0.52 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALPG | P10696 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29289251 | 0.90 | ALDH1A1 (0.60) | CYP1A2CYP3A4HIF1AHPGDPKM | |
| SCHEMBL29289250 | 0.90 | ALDH1A1 (0.60) | CYP1A2CYP3A4HIF1AHPGDPKM | |
| SCHEMBL11564787 | 0.85 | CYP1A2 (0.49) | CYP1A2CYP3A4HIF1AHPGDPKM | |
| SCHEMBL8540758 | 0.84 | CYP1A2 (0.58) | CYP1A2CYP3A4HIF1AHPGDPKM | |
| SCHEMBL8540762 | 0.84 | CYP1A2 (0.58) | CYP1A2CYP3A4HIF1AHPGDPKM | |
| SCHEMBL10989985 | 0.81 | GLO1 (0.61) | CYP1A2CYP3A4HIF1ANFE2L2ALDH1A1 | |
| SCHEMBL12486820 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP3A4HIF1AHPGDNFE2L2 | |
| SCHEMBL12486817 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP3A4HIF1AHPGDNFE2L2 | |
| SCHEMBL29289237 | 0.77 | ALDH1A1 (0.65) | HPGDPKMALDH1A1LMNAKMT2A | |
| SCHEMBL29289241 | 0.77 | ALDH1A1 (0.65) | HPGDPKMALDH1A1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |