Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRN | P28799 | 1/20 | 0.44 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.31 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28337307 | 0.83 | KDM4E (0.38) | TGFBR1KDM4EMAPTTHRBALOX15 | |
| SCHEMBL8337750 | 0.79 | CA2 (0.42) | MAPTSMN1; SMN2FOLH1NAALAD2 | |
| SCHEMBL6746101 | 0.79 | CA2 (0.42) | MAPTSMN1; SMN2FOLH1NAALAD2 | |
| SCHEMBL805252 | 0.77 | GRN (0.47) | GRNSORT1TGFBR1KDM4EMAPT | |
| SCHEMBL27952437 | 0.76 | TGFBR1 (0.36) | TGFBR1KDM4EMAPTTHRBALOX15 | |
| SCHEMBL15444859 | 0.76 | TGFBR1 (0.32) | TGFBR1ADH1BADH1CADH1A | |
| SCHEMBL8028150 | 0.75 | ECE1 (0.42) | TGFBR1KDM4EMAPTALDH1A1FOLH1 | |
| SCHEMBL2918805 | 0.75 | ECE1 (0.42) | TGFBR1KDM4EMAPTALDH1A1FOLH1 | |
| SCHEMBL9810229 | 0.74 | GRIK1 (0.44) | — | |
| SCHEMBL29956040 | 0.74 | — | — |
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-1194443-A1 | CYSTEINYL PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078794-A1 | CYSTEINYL PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2000-12-28 | — | — | WO | disclosed |