Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 6/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14461646 | 0.85 | TYR (0.49) | MPO | |
| SCHEMBL25143184 | 0.81 | MPO (0.56) | MPOSLC6A4SLC6A2SLC6A3TAAR1 | |
| SCHEMBL13763 | 0.80 | MPO (0.51) | MPOSLC6A4SLC6A2SLC6A3TAAR1 | |
| SCHEMBL8438911 | 0.79 | MPO (0.57) | MPOSLC6A4IDO1AGXTTAAR1 | |
| SCHEMBL12525261 | 0.79 | MPO (0.43) | MPOSLC6A4SLC6A2SLC6A3IDO1 | |
| SCHEMBL15963291 | 0.79 | CYP1A2 (0.39) | IDO1TAAR1 | |
| SCHEMBL3667517 | 0.78 | IDO1 (0.40) | SLC6A4IDO1AGXT | |
| SCHEMBL30293741 | 0.77 | F13A1 (0.44) | MPOSLC6A4SLC6A3 | |
| SCHEMBL14853492 | 0.76 | TAAR1 (0.51) | TAAR1 | |
| SCHEMBL14850102 | 0.76 | MPO (0.48) | MPOSLC6A4SLC6A2SLC6A3TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9216979-B2 | Antimicrobial compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2015-12-22 | — | — | US | disclosed |