Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MAP2 | P11137 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7414405 | 0.87 | KCNH2 (0.39) | KDM4EALDH1A1GAAGLAHTT | |
| SCHEMBL7410799 | 0.74 | ROCK2 (0.42) | ALDH1A1GAAMAPKAPK2LMNA | |
| SCHEMBL8241808 | 0.74 | CA1 (0.42) | KDM4EALDH1A1GAAGLAHTT | |
| SCHEMBL7406913 | 0.72 | KDM4E (0.43) | KDM4EALDH1A1GAAHTTHPGD | |
| SCHEMBL9734334 | 0.68 | NPC1 (0.42) | ALDH1A1HPGD | |
| SCHEMBL31530864 | 0.67 | NOTUM (0.45) | ALDH1A1HTTLMNA | |
| SCHEMBL7414202 | 0.65 | MEN1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL11259771 | 0.65 | MAPKAPK2 (0.43) | KDM4EALDH1A1HTR2AHTR2CKCNH2 | |
| SCHEMBL11256635 | 0.65 | MAPKAPK2 (0.60) | HTR2AHTR2CMAPKAPK2FEN1SIGMAR1 | |
| SCHEMBL6295699 | 0.63 | KDM4E (0.59) | KDM4EALDH1A1GAAGLAHTT |
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-6075021-A | 1H-pyrido[3,4-b]indole-4-carboxamide derivatives, preparation and application thereof in therapeutics | SYNTHELABO (FR) | 2000-06-13 | — | — | US | disclosed |