Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11669873 | 0.90 | LMNA (0.39) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11669096 | 0.89 | CYP1A2 (0.39) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| Hydrochloric Acid SCHEMBL11669236 | 0.88 | CYP1A2 (0.38) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11669229 | 0.88 | CYP1A2 (0.38) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11669598 | 0.86 | MET (0.36) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11669007 | 0.85 | LMNA (0.42) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11669342 | 0.84 | BRD4 (0.45) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11809398 | 0.84 | ADRA2A (0.42) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11669437 | 0.84 | CYP1A2 (0.42) | LMNAGLACYP1A2CYP2C9MAPK1 | |
| SCHEMBL11669142 | 0.83 | CYP1A2 (0.36) | LMNACYP1A2CYP2C9MAPK1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4006141-A | MICROBIOCIDE | BOEHRINGER MANNHEIM G.M.B.H. (DT) | 1977-02-01 | — | — | US | disclosed |
| US-3989832-A | Combating bacteria with nitroimidazolyl-triazolo-pyridiazine compounds | BOEHRINGER MANNHEIM G.M.B.H. (DT) | 1976-11-02 | — | — | US | disclosed |