Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.74 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.74 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.63 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.60 |
| ▸ | PARP1 | P09874 | 3/20 | 0.56 |
| ▸ | TNKS | O95271 | 1/20 | 0.56 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.56 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.56 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.56 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.56 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.56 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.56 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.56 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL19308466 | 0.86 | P2RY12 (0.71) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL31488126 | 0.85 | MTNR1A (1.00) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL7722965 | 0.85 | MTNR1A (1.00) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL4728869 | 0.83 | PARP1 (0.79) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL4728731 | 0.82 | CCKBR (0.65) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL4726206 | 0.82 | P2RY12 (0.73) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL4726214 | 0.82 | P2RY12 (0.73) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL21855490 | 0.80 | KDM4E (0.74) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL30227292 | 0.80 | KDM4E (0.74) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 | |
| SCHEMBL19308465 | 0.80 | P2RY12 (0.73) | KDM4EKMT2AMTNR1AMTNR1BP2RY12 |
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-9751851-B2 | Molecules and compositions that inhibit gram negative bacteria and their uses | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-09-05 | — | — | US | disclosed |