Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19697158 | 0.87 | TDP1 (0.44) | TDP1L3MBTL1S1PR1PPARAPTGDR2 | |
| SCHEMBL19304177 | 0.87 | TDP1 (0.44) | TDP1L3MBTL1S1PR1PPARAPTGDR2 | |
| SCHEMBL21503642 | 0.86 | CYP2E1 (0.44) | TDP1L3MBTL1CYP3A4 | |
| SCHEMBL12145516 | 0.85 | TDP1 (0.45) | TDP1L3MBTL1PPARAPTGDR2LIPG | |
| SCHEMBL23768500 | 0.79 | TDP1 (0.52) | TDP1L3MBTL1PPARAPTGDR2LIPG | |
| SCHEMBL805511 | 0.79 | ALDH1A1 (0.45) | CYP3A4 | |
| SCHEMBL27425453 | 0.79 | TDP1 (0.52) | TDP1L3MBTL1PPARAPTGDR2LIPG | |
| SCHEMBL10598588 | 0.79 | TDP1 (0.52) | TDP1L3MBTL1PPARAPTGDR2LIPG | |
| SCHEMBL5400615 | 0.77 | TDP1 (0.53) | TDP1L3MBTL1PPARAPTGDR2LIPG | |
| SCHEMBL9820954 | 0.76 | TDP1 (0.49) | TDP1L3MBTL1PPARAPTGDR2LIPG |
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-9926285-B2 | Allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2018-03-27 | — | — | US | disclosed |