Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16552688 | 0.86 | NPSR1 (0.46) | MAPK1POLBNPSR1RAB9AKMT2A | |
| SCHEMBL16552687 | 0.86 | NPSR1 (0.46) | MAPK1POLBNPSR1RAB9AKMT2A | |
| SCHEMBL15319101 | 0.78 | MEN1 (0.39) | MAPK1NPSR1RAB9AKMT2AMEN1 | |
| SCHEMBL10126133 | 0.72 | MAPK1 (0.55) | MAPK1POLBNPSR1RAB9AKMT2A | |
| SCHEMBL21580425 | 0.72 | MAPK1 (0.55) | MAPK1POLBNPSR1RAB9AKMT2A | |
| SCHEMBL13173222 | 0.72 | MAPK1 (0.55) | MAPK1POLBNPSR1RAB9AKMT2A | |
| SCHEMBL9252125 | 0.72 | MAPK1 (0.55) | MAPK1POLBNPSR1RAB9AKMT2A | |
| SCHEMBL20773790 | 0.70 | MAPK1 (0.57) | MAPK1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL9248500 | 0.70 | MAPK1 (0.50) | MAPK1NPSR1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL13173219 | 0.70 | MAPK1 (0.50) | MAPK1NPSR1RAB9AALDH1A1L3MBTL1 |
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-2834239-B1 | HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS | ENTASIS THERAPEUTICS LTD (GB) | 2017-12-27 | — | — | EP | disclosed |