Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SCNN1A | P37088 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ASPH | Q12797 | 1/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8613364 | 0.83 | PIK3CA (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8617728 | 0.83 | RAB9A (0.43) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8615315 | 0.83 | KDM4E (0.45) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8618940 | 0.82 | ADORA2A (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8616267 | 0.82 | RAB9A (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8616601 | 0.82 | RAB9A (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8620636 | 0.80 | NPC1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8614069 | 0.79 | ADORA2A (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8615871 | 0.78 | ADORA2A (0.39) | ALDH1A1SMN1; SMN2NPC1RAB9ASCNN1A | |
| SCHEMBL8614933 | 0.78 | EGFR (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9AEGFR |
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 |