Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 4/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL20742878 | 1.00 | SMN1; SMN2 (0.33) | SMN1; SMN2CYP3A4HTTPSMB5METAP2 | |
| SCHEMBL19285641 | 1.00 | SMN1; SMN2 (0.33) | SMN1; SMN2CYP3A4HTTPSMB5METAP2 | |
| SCHEMBL19285490 | 0.91 | CYP3A4 (0.32) | SMN1; SMN2CYP3A4HTTPSMB5METAP2 | |
| SCHEMBL20494817 | 0.91 | CYP3A4 (0.32) | SMN1; SMN2CYP3A4HTTPSMB5METAP2 | |
| SCHEMBL20571059 | 0.89 | MTNR1A (0.37) | SMN1; SMN2CYP3A4HTTMTNR1AMTNR1B | |
| SCHEMBL19285544 | 0.89 | MTNR1A (0.37) | SMN1; SMN2CYP3A4HTTMTNR1AMTNR1B | |
| SCHEMBL20742851 | 0.89 | MTNR1A (0.37) | SMN1; SMN2CYP3A4HTTMTNR1AMTNR1B | |
| SCHEMBL17209666 | 0.89 | SMN1; SMN2 (0.34) | SMN1; SMN2CYP3A4HTTPSMB5SMYD2 | |
| SCHEMBL2790970 | 0.89 | SMN1; SMN2 (0.34) | SMN1; SMN2CYP3A4HTTPSMB5SMYD2 | |
| SCHEMBL19300691 | 0.89 | ATM (0.42) | CTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-3630109-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | Rutgers, the State University of New Jersey (US) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018218192-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-11-29 | — | — | WO | disclosed |