Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 4/20 | 0.57 |
| ▸ | CBFB | Q13951 | 3/20 | 0.55 |
| ▸ | METAP2 | P50579 | 2/20 | 0.55 |
| ▸ | METAP1 | P53582 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29470995 | 0.82 | GSK3B (0.61) | ITKMETAP2METAP1NPC1RAB9A | |
| SCHEMBL308319 | 0.82 | GSK3B (0.61) | ITKMETAP2METAP1NPC1RAB9A | |
| SCHEMBL1466825 | 0.81 | SMN1; SMN2 (0.55) | ITKMETAP2METAP1NPC1RAB9A | |
| SCHEMBL6953761 | 0.77 | KDM4E (0.54) | ITKNPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL693581 | 0.76 | GSK3B (0.59) | ITKNPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL1464866 | 0.76 | CYP19A1 (0.64) | METAP1NPC1RAB9APKMALDH1A1 | |
| SCHEMBL694241 | 0.75 | LMNA (0.49) | ITKCBFBMETAP2METAP1NPC1 | |
| SCHEMBL2362656 | 0.75 | NPC1 (0.69) | ITKNPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL3005391 | 0.75 | KDM4E (0.46) | CBFBMETAP2METAP1NPC1RAB9A | |
| SCHEMBL9669151 | 0.75 | KDM4E (0.43) | ITKCBFBMETAP2METAP1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101784543-B | Indole and indazole compounds as inhibitors of cellular necrosis | LG LIFE SCIENCES LTD | 2013-10-16 | — | — | CN | disclosed |
| CN-101784543-A | Indole and indazole compounds as inhibitors of cellular necrosis | LG LIFE SCIENCES LTD | 2010-07-21 | — | — | CN | disclosed |