Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | HPGD | P15428 | 7/20 | 0.54 |
| ▸ | THRB | P10828 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | MET | P08581 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | LY6K | Q17RY6 | 1/20 | 0.40 |
| ▸ | MOK | Q9UQ07 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8613506 | 0.91 | ALDH1A1 (0.45) | ALDH1A1HPGDTHRBLMNANPSR1 | |
| SCHEMBL8613743 | 0.90 | ALDH1A1 (0.53) | ALDH1A1HPGDTHRBLMNANPSR1 | |
| SCHEMBL8613827 | 0.87 | ALDH1A1 (0.41) | ALDH1A1HPGDTHRBLMNANPSR1 | |
| SCHEMBL8613247 | 0.87 | ALDH1A1 (0.44) | ALDH1A1HPGDTHRBLMNANPSR1 | |
| SCHEMBL8617766 | 0.85 | ABCB1 (0.54) | ALDH1A1HPGDNPSR1KDM4EMAPT | |
| SCHEMBL8619423 | 0.84 | ADORA1 (0.50) | ALDH1A1HPGDKDM4EMAPTMOK | |
| SCHEMBL8618223 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HPGDTHRBLMNANPSR1 | |
| SCHEMBL8615149 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HPGDTHRBLMNANPSR1 | |
| SCHEMBL8616641 | 0.83 | ACP1 (0.42) | ALDH1A1HPGDLMNAKDM4EMOK | |
| SCHEMBL8614953 | 0.82 | ALDH1A1 (0.42) | ALDH1A1HPGDTHRBLMNANPSR1 |
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-0726254-B1 | Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds | MITSUI TOATSU CHEMICALS (JP) | 1998-05-06 | — | — | EP | disclosed |
| US-5627193-A | MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-05-06 | — | — | US | disclosed |
| EP-0726254-A1 | Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-08-14 | — | — | EP | disclosed |