Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 4/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310999 | 0.95 | CCR5 (0.35) | CCR5MEN1LMNAMAPTKMT2A | |
| SCHEMBL7303493 | 0.89 | SMN1; SMN2 (0.38) | CYP1A2MAPK1SMN1; SMN2CCR5MEN1 | |
| SCHEMBL7314564 | 0.89 | SMN1; SMN2 (0.33) | SMN1; SMN2CCR5MEN1LMNAMAPT | |
| SCHEMBL7308696 | 0.88 | ITGB3 (0.32) | CCR5LMNA | |
| SCHEMBL7303836 | 0.86 | SMN1; SMN2 (0.38) | SMN1; SMN2CCR5HTR4 | |
| SCHEMBL7314586 | 0.84 | MAOB (0.37) | CYP1A2MAPK1SMN1; SMN2MAOBHTR4 | |
| SCHEMBL7309143 | 0.84 | CYP1A2 (0.32) | CYP1A2MAPK1SMN1; SMN2MAOBKDM1A | |
| SCHEMBL7305450 | 0.84 | CCR5 (0.35) | CYP1A2MAPK1SMN1; SMN2CCR5KDM1A | |
| SCHEMBL7302535 | 0.82 | HRH3 (0.34) | CYP1A2HTR4PARP1 | |
| SCHEMBL7306412 | 0.82 | SMN1; SMN2 (0.42) | SMN1; SMN2 |
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-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |