Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30469306 | 0.81 | MAOB (0.60) | ADORA2ALMNASMN1; SMN2NPC1CASP3 | |
| SCHEMBL20557970 | 0.81 | MAOB (0.60) | ADORA2ALMNASMN1; SMN2NPC1CASP3 | |
| SCHEMBL6132077 | 0.80 | TGFBR1 (0.56) | TGFBR1LMNAKMT2AHTR1AHTR7 | |
| SCHEMBL6132047 | 0.75 | KMT2A (0.57) | TGFBR1LMNAKMT2AHTR1AHTR7 | |
| SCHEMBL24209382 | 0.75 | LMNA (0.56) | TDP1LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL30059246 | 0.75 | LMNA (0.61) | LMNANPC1RAB9AKEAP1NFE2L2 | |
| SCHEMBL28218708 | 0.75 | LMNA (0.61) | LMNANPC1RAB9AKEAP1NFE2L2 | |
| SCHEMBL515302 | 0.75 | LMNA (0.61) | LMNANPC1RAB9AKEAP1NFE2L2 | |
| SCHEMBL7108951 | 0.74 | MAOB (0.56) | TDP1ADORA2ALMNASMN1; SMN2NPC1 | |
| SCHEMBL30009634 | 0.74 | NFE2L2 (0.51) | TDP1RAB9AKEAP1NFE2L2KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1435957-A4 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMA (US) | 2005-04-13 | — | — | EP | claimed |
| EP-1435957-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | Vertex Pharmaceuticals Incorporated (US) | 2004-07-14 | — | — | EP | claimed |
| WO-2002088078-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | claimed |