Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1560444 | 0.77 | EPHX1 (0.41) | NFKB1NFKB2RELAHSD11B1HPGD | |
| SCHEMBL7642227 | 0.76 | NFKB1 (0.41) | NFKB1NFKB2RELAHSD11B1DRD2 | |
| SCHEMBL7470486 | 0.74 | — | — | |
| SCHEMBL7788916 | 0.74 | SMYD3 (0.47) | NFKB1NFKB2RELAHSD11B1DRD2 | |
| SCHEMBL18380884 | 0.74 | SMYD3 (0.47) | NFKB1NFKB2RELAHSD11B1DRD2 | |
| Hydrochloric Acid SCHEMBL3971132 | 0.73 | SMYD3 (0.46) | NFKB1NFKB2RELAHSD11B1DRD2 | |
| SCHEMBL18180584 | 0.72 | HTT (0.33) | HPGDCYP1A2HTTTRPM8ALDH1A1 | |
| SCHEMBL1807692 | 0.72 | NFKB1 (0.38) | NFKB1NFKB2RELAHSD11B1DRD2 | |
| SCHEMBL1804713 | 0.72 | NFKB1 (0.38) | NFKB1NFKB2RELAHSD11B1DRD2 | |
| SCHEMBL28192862 | 0.72 | PPM1B (0.44) | NFKB1NFKB2RELAHSD11B1DRD2 |
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-2794613-B1 | CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2017-03-29 | — | — | EP | disclosed |