Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 6/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4515128 | 0.85 | CYP2A6 (0.47) | BACE1SMN1; SMN2TDP2LMNAALDH1A1 | |
| SCHEMBL2905923 | 0.80 | KDM4E (0.49) | SMN1; SMN2CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL20546410 | 0.77 | ALDH1A1 (0.39) | BACE1KDM4ETSHRKMT2AALDH1A1 | |
| SCHEMBL29919746 | 0.74 | NR2F2 (0.41) | CYP1A2TDP2LMNAALDH1A1CYP2A6 | |
| SCHEMBL4526857 | 0.74 | NR2F2 (0.41) | CYP1A2TDP2LMNAALDH1A1CYP2A6 | |
| SCHEMBL4515249 | 0.73 | PDGFRB (0.48) | CYP1A2CYP3A4CYP2C19TDP2LMNA | |
| SCHEMBL20011527 | 0.70 | TSHR (0.34) | SMN1; SMN2GAAKDM4EAPAF1MITF | |
| SCHEMBL19994208 | 0.68 | IL2 (0.33) | BACE1CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL4522202 | 0.68 | NR2F2 (0.38) | BACE1SMN1; SMN2TDP2MAPTLMNA | |
| SCHEMBL29919667 | 0.68 | NPC1 (0.42) | TDP2MAPTLMNAALDH1A1CYP2A6 |
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-2018054711-A1 | PYRIDINE COMPOUNDS FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI | BASF SE (DE) | 2018-03-29 | — | — | WO | disclosed |