Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11560363 | 0.81 | ALDH1A1 (0.53) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL11562290 | 0.79 | ALDH1A1 (0.54) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL11559203 | 0.78 | ALDH1A1 (0.48) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL8540762 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL8540758 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL29289250 | 0.74 | ALDH1A1 (0.60) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL29289251 | 0.74 | ALDH1A1 (0.60) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL10780951 | 0.71 | GLO1 (0.64) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL10386679 | 0.71 | GLO1 (0.64) | CYP1A2CYP3A4HIF1AALDH1A1LMNA | |
| SCHEMBL11565020 | 0.71 | CYP1A2 (0.65) | CYP1A2CYP3A4HIF1AALDH1A1LMNA |
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 |