Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MYOC | Q99972 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL620493 | 0.92 | HSPB1 (0.59) | HSPB1HTTNPC1MAPK1RAB9A | |
| SCHEMBL7173350 | 0.87 | HSPB1 (0.66) | HSPB1HTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4638703 | 0.83 | SLC6A4 (0.54) | CYP1A2CYP2C9CYP2C19MAPK1RAB9A | |
| SCHEMBL514483 | 0.81 | HSD17B10 (0.56) | HTTNPC1MAPK1RAB9AKDM4E | |
| SCHEMBL11234442 | 0.80 | PDE7A (0.60) | HSPB1HTTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL11460774 | 0.79 | PDE7A (0.46) | HSPB1HTTNPC1MAPK1RAB9A | |
| SCHEMBL945833 | 0.78 | HSPB1 (0.63) | HSPB1HTTNPC1MAPK1RAB9A | |
| SCHEMBL9183872 | 0.77 | HSPB1 (0.79) | HSPB1HTTNPC1MAPK1RAB9A | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 | 0.77 | HSPB1 (0.79) | HSPB1HTTNPC1MAPK1RAB9A | |
| SCHEMBL11689190 | 0.77 | HSPB1 (0.79) | HSPB1HTTNPC1MAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2178869-A1 | INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS | LG Life Sciences Ltd. (KR) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009025477-A1 | INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS | LG LIFE SCIENCES LTD. (KR) | 2009-02-26 | — | — | WO | disclosed |