Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12628204 | 0.93 | TSHR (0.48) | KIF11NPC1RAB9AXDHTDO2 | |
| SCHEMBL12628247 | 0.93 | KIF11 (0.51) | KIF11NPC1RAB9AXDHTDO2 | |
| SCHEMBL12524849 | 0.86 | KIF11 (0.53) | KIF11NPC1RAB9AXDHTDO2 | |
| SCHEMBL12523556 | 0.86 | KIF11 (0.53) | KIF11NPC1RAB9AXDHTDO2 | |
| SCHEMBL12525207 | 0.86 | KIF11 (0.53) | KIF11NPC1RAB9AXDHTDO2 | |
| SCHEMBL12628254 | 0.86 | KIF11 (0.47) | KIF11NPC1RAB9ATDO2CA12 | |
| SCHEMBL12628208 | 0.86 | TSHR (0.44) | KIF11NPC1RAB9AXDHTDO2 | |
| SCHEMBL12622269 | 0.85 | NPC1 (0.50) | KIF11NPC1RAB9AXDHTDO2 | |
| SCHEMBL12622258 | 0.84 | NPC1 (0.38) | KIF11NPC1RAB9ATDO2DGAT1 | |
| SCHEMBL2251067 | 0.84 | KIF11 (0.49) | KIF11NPC1RAB9AXDHTNF |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110108770-A1 | COMPOSITION COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-12 | — | — | US | disclosed |
| US-20110108770-A1 | COMPOSITION COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-12 | — | — | US | disclosed |
| EP-2287940-A1 | COMPOSITION CONTAINING NITROGENOUS HETEROCYCLIC COMPOUNDS | Sumitomo Chemical Company, Limited (JP) | 2011-02-23 | — | — | EP | disclosed |