Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3475882 | 0.79 | TSHR (0.44) | TSHRATMMAPTMEN1KMT2A | |
| SCHEMBL1945200 | 0.78 | TSHR (0.54) | TSHRATMMAPTMEN1KMT2A | |
| SCHEMBL4696898 | 0.77 | KDM4C (0.40) | TSHRMAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3473567 | 0.76 | HPGD (0.51) | ATMMAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1702032 | 0.76 | TSHR (0.55) | TSHRATMMAPTMEN1KMT2A | |
| SCHEMBL2183881 | 0.75 | GAA (0.58) | TSHRMAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL532700 | 0.74 | TSHR (0.54) | TSHRATMMAPTMEN1KMT2A | |
| SCHEMBL1944581 | 0.73 | TSHR (0.49) | TSHRATMMAPTMEN1KMT2A | |
| SCHEMBL9414222 | 0.73 | TSHR (0.52) | TSHRATMMAPTMEN1KMT2A | |
| SCHEMBL11782896 | 0.71 | ALDH1A1 (0.55) | TSHRATMMAPTMEN1KMT2A |
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 | disclosed |
| 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 |