Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 9/20 | 0.66 |
| ▸ | BRD2 | P25440 | 1/20 | 0.66 |
| ▸ | MLYCD | O95822 | 1/20 | 0.58 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300240 | 0.83 | BRD4 (0.70) | BRD4BRD2MLYCD | |
| SCHEMBL17532580 | 0.81 | BRD4 (0.68) | BRD4BRD2GPR55PTGS2PTGS1 | |
| SCHEMBL14678367 | 0.80 | BRD4 (0.66) | BRD4BRD2MLYCDLMNACYP3A4 | |
| SCHEMBL12077969 | 0.80 | BRD4 (0.55) | BRD4BRD2MLYCDLMNA | |
| SCHEMBL1772573 | 0.80 | BRD4 (0.66) | BRD4BRD2MLYCDLMNACYP1A2 | |
| SCHEMBL3885694 | 0.80 | BRD4 (0.66) | BRD4BRD2MLYCD | |
| SCHEMBL12362813 | 0.80 | BRD4 (0.66) | BRD4BRD2MLYCD | |
| 3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 | 0.79 | BRD4 (1.00) | BRD4BRD2MLYCDPTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL23174957 | 0.78 | BRD4 (0.63) | BRD4BRD2MLYCD | |
| SCHEMBL3818394 | 0.78 | BRD4 (0.49) | BRD4BRD2MLYCDGPR55PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2429993-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2015-01-21 | — | — | EP | disclosed |