Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.47 |
| ▸ | CDK9 | P50750 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18791104 | 0.89 | CYP11B2 (0.51) | CYP11B2CCNT1CDK9ALDH1A1SMN1; SMN2 | |
| SCHEMBL18790697 | 0.85 | CYP11B2 (0.69) | CYP11B2MAPTDRD2DRD4DRD3 | |
| SCHEMBL18791103 | 0.79 | HTR7 (0.58) | CDK9ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL18790973 | 0.77 | CYP11B2 (0.43) | CYP11B2ALDH1A1SMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL18790695 | 0.77 | CYP11B2 (0.67) | CYP11B2MAPTDRD2DRD4DRD3 | |
| SCHEMBL18790705 | 0.75 | CYP11B2 (0.65) | CYP11B2MAPTDRD2DRD4DRD3 | |
| SCHEMBL18791041 | 0.75 | CYP11B2 (0.45) | CYP11B2TNFCYP11B1MEN1KMT2A | |
| SCHEMBL18790704 | 0.75 | SLC6A9 (0.47) | CYP11B2SMN1; SMN2DRD2DRD4CYP11B1 | |
| SCHEMBL23772656 | 0.74 | SMARCA2 (0.52) | CCNT1CDK9TP53ALDH1A1L3MBTL1 | |
| SCHEMBL5796448 | 0.73 | KDM4E (0.70) | TP53ALDH1A1L3MBTL1MAPTDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017069226-A1 | NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2017-04-27 | — | — | WO | disclosed |