Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA9 | Q16790 | 5/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | CDC7 | O00311 | 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 | |
|---|---|---|---|---|
| SCHEMBL11669437 | 0.87 | CYP1A2 (0.42) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669026 | 0.85 | ALDH1A1 (0.41) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669239 | 0.84 | LMNA (0.42) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669288 | 0.84 | BRD4 (0.42) | BRD4ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL11669873 | 0.83 | LMNA (0.39) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669154 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669096 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669517 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669199 | 0.83 | CYP1A2 (0.39) | BRD4CYP1A2CYP2C9LMNAALDH1A1 | |
| SCHEMBL11669514 | 0.83 | KDM4E (0.49) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3989832-A | Combating bacteria with nitroimidazolyl-triazolo-pyridiazine compounds | BOEHRINGER MANNHEIM G.M.B.H. (DT) | 1976-11-02 | — | — | US | claimed |
| 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 |
| US-3948912-A | ANTIBACTERIAL, ANTIPROTOZOA | BOEHRINGER MANNHEIM G.M.B.H. (DT) | 1976-04-06 | — | — | US | disclosed |