Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25199087 | 0.97 | HTT (0.64) | HTTALDH1A1MAPK1MAPTLMNA | |
| SCHEMBL801074 | 0.94 | ALDH1A1 (0.59) | HTTALDH1A1MAPK1MAPTLMNA | |
| SCHEMBL907889 | 0.88 | ALDH1A1 (0.54) | HTTALDH1A1MAPK1MAPTTRPV1 | |
| SCHEMBL4752887 | 0.88 | ALDH1A1 (0.54) | HTTALDH1A1MAPK1LMNAOPRK1 | |
| SCHEMBL2145143 | 0.87 | ALDH1A1 (0.56) | HTTALDH1A1MAPK1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL4753957 | 0.87 | ALDH1A1 (0.52) | HTTALDH1A1MAPK1LMNAOPRK1 | |
| Hydrochloric Acid SCHEMBL3174215 | 0.87 | ALDH1A1 (0.52) | HTTALDH1A1MAPK1MAPTTRPV1 | |
| SCHEMBL16467021 | 0.84 | ALDH1A1 (0.50) | HTTALDH1A1MAPK1MAPTLMNA | |
| SCHEMBL30413024 | 0.84 | ALDH1A1 (0.50) | HTTALDH1A1MAPK1MAPTLMNA | |
| SCHEMBL27910271 | 0.84 | ALDH1A1 (0.50) | HTTALDH1A1MAPK1MAPTLMNA |
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-2240485-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Takeda Pharmaceutical Company Limited (JP) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009093747-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-07-30 | — | — | WO | disclosed |