Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10045895 | 0.86 | TDP1 (0.43) | BRD4MAOBTYMSCES1TDP1 | |
| SCHEMBL14702096 | 0.77 | PTPRC (0.38) | TYMSTDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL16802256 | 0.74 | MEN1 (0.56) | CYP2A6MAOAMAOBCES1HSD17B1 | |
| SCHEMBL17870847 | 0.73 | PGR (0.35) | MAOAMAOBPGR | |
| SCHEMBL10045919 | 0.72 | L3MBTL1 (0.45) | CES1TDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL10045894 | 0.71 | TDP1 (0.44) | MAOBCES1TDP1L3MBTL1NPC1 | |
| SCHEMBL17637810 | 0.71 | TDP2 (0.37) | L3MBTL1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL14925859 | 0.71 | L3MBTL1 (0.46) | MAOAMAOBCES1TDP1L3MBTL1 | |
| SCHEMBL14925861 | 0.70 | L3MBTL1 (0.43) | CES1TDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL10045642 | 0.70 | L3MBTL1 (0.47) | CES1TDP1L3MBTL1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015082056-A1 | COMPOUNDS AND ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2015-06-11 | — | — | WO | disclosed |