Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7827339 | 0.75 | GAA (0.42) | PDE4DMAOAALDH1A1BRD4GAA | |
| SCHEMBL11073395 | 0.72 | GAA (0.39) | PDE4DMAOAKDM4EMAPK1ALDH1A1 | |
| SCHEMBL7815545 | 0.67 | ALDH1A1 (0.40) | MAOATSHRKDM4EMAPK1ALDH1A1 | |
| SCHEMBL16339494 | 0.62 | CYP11B1 (0.57) | PDE3BPDE3ATSHRALDH1A1GAA | |
| SCHEMBL28447344 | 0.62 | HTR5A (0.42) | KDM4E | |
| SCHEMBL11068966 | 0.61 | ALDH1A1 (0.46) | MAPK1ALDH1A1GAASMN1; SMN2RAB9A | |
| SCHEMBL10645877 | 0.61 | CYP3A4 (0.62) | ACHEMAPK1ALDH1A1BRD4GAA | |
| SCHEMBL29924708 | 0.61 | MAPT (0.68) | PDE4DMAOATSHRKDM4EALDH1A1 | |
| SCHEMBL2594537 | 0.61 | MAPT (0.68) | PDE4DMAOATSHRKDM4EALDH1A1 | |
| SCHEMBL14481557 | 0.61 | MAPT (0.68) | PDE4DMAOATSHRKDM4EALDH1A1 |
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-0712845-B1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-5633248-A | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| EP-0712845-A1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |