Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSF1 | Q00613 | 7/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAF1 | P04049 | 3/20 | 0.47 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GALK1 | P51570 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13492890 | 0.76 | TDP2 (0.55) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL3472208 | 0.73 | RAF1 (0.74) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL3472489 | 0.69 | TDP2 (0.57) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL3472094 | 0.69 | TDP2 (0.43) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL3472830 | 0.69 | TDP2 (0.43) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL3292113 | 0.67 | HSF1 (0.69) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL13273085 | 0.66 | HSF1 (0.40) | HSF1NPC1RAF1MAP2K1RAB9A | |
| SCHEMBL10195758 | 0.64 | HSF1 (1.00) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL3473513 | 0.64 | TDP2 (0.54) | HSF1NPC1RAF1MAP2K1KDM4E | |
| SCHEMBL9118620 | 0.64 | ALDH1A1 (0.49) | HSF1NPC1RAF1MAP2K1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010072807-A2 | INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE | FONDATION JEROME LEJEUNE (FR) | 2010-07-01 | — | — | WO | claimed |
| WO-2010072807-A2 | INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE | FONDATION JEROME LEJEUNE (FR) | 2010-07-01 | — | — | WO | disclosed |