Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14743719 | 0.91 | ALDH1A1 (0.42) | TSHRPPARGPPARAALDH1A1SMN1; SMN2 | |
| SCHEMBL14743619 | 0.89 | ALDH1A1 (0.38) | ITKALDH1A1SMN1; SMN2LIMK1LIMK2 | |
| SCHEMBL14743684 | 0.88 | TSHR (0.38) | TSHRPPARGPPARAALDH1A1SMN1; SMN2 | |
| SCHEMBL14743067 | 0.87 | ALDH1A1 (0.43) | TSHRALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL14743646 | 0.84 | TSHR (0.43) | TSHRALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL14743979 | 0.83 | TSHR (0.42) | TSHRALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL14743329 | 0.83 | NPC1 (0.45) | TSHRSMN1; SMN2NPC1RAB9A | |
| SCHEMBL14743539 | 0.81 | PTGES (0.48) | TSHRSMN1; SMN2LIMK2HPGDNPC1 | |
| SCHEMBL14743090 | 0.80 | MEN1 (0.43) | ALDH1A1HPGDRAB9AHDAC1HDAC6 | |
| SCHEMBL14743558 | 0.80 | ALDH1A1 (0.45) | TSHRALDH1A1SMN1; SMN2HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013030358-A1 | GLYCINE B ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2013-03-07 | — | — | WO | disclosed |