Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | GSK3B | P49841 | 7/20 | 0.36 |
| ▸ | GSK3A | P49840 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8881065 | 0.90 | CNR2 (0.33) | CYP1A2CYP2C9CNR2LOXL2 | |
| SCHEMBL8880853 | 0.88 | CYP1A2 (0.31) | CYP1A2CYP2C9MAPT | |
| SCHEMBL8883329 | 0.88 | KMT2A (0.42) | CYP1A2CYP2C9KDM4EALDH1A1MAPT | |
| SCHEMBL9254540 | 0.84 | CYP1A2 (0.43) | CYP1A2CYP2C9KDM4ECNR2GSK3B | |
| SCHEMBL8884727 | 0.84 | MAOB (0.44) | ALDH1A1 | |
| SCHEMBL8883715 | 0.83 | SMN1; SMN2 (0.37) | KDM4EALDH1A1SMN1; SMN2POLB | |
| SCHEMBL8882392 | 0.83 | ALDH1A1 (0.39) | ALDH1A1MAPT | |
| SCHEMBL8883675 | 0.82 | GSK3B (0.42) | CYP1A2CYP2C9KDM4ECNR2GSK3B | |
| SCHEMBL8884435 | 0.82 | TDP1 (0.42) | CYP1A2KDM4EMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL8882459 | 0.81 | IKBKB (0.39) | KDM4EALDH1A1MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5620995-A | Substituted heterocyclic carboxyamides, their preparation and their use as pharmaceuticals | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |