Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.67 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.67 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 7/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.56 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | TACR3 | P29371 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8617743 | 0.90 | CYP3A4 (0.65) | MEN1KMT2APTGER4CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8620745 | 0.89 | CYP3A4 (0.64) | MEN1KMT2APTGER4CYP3A4ALDH1A1 | |
| SCHEMBL8614339 | 0.88 | CYP3A4 (0.54) | AKR1C3AKR1C2AKR1C1MEN1KMT2A | |
| SCHEMBL8620931 | 0.88 | POLB (0.66) | MEN1KMT2APTGER4CYP3A4ALDH1A1 | |
| SCHEMBL8618943 | 0.87 | MEN1 (0.65) | MEN1KMT2APTGER4CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8614025 | 0.87 | CYP3A4 (0.53) | AKR1C3AKR1C2AKR1C1MEN1KMT2A | |
| SCHEMBL8615253 | 0.87 | CYP3A4 (0.53) | AKR1C3AKR1C2AKR1C1MEN1KMT2A | |
| SCHEMBL8614078 | 0.87 | ALDH1A1 (0.64) | MEN1KMT2APTGER4CYP3A4ALDH1A1 | |
| SCHEMBL8615206 | 0.87 | CYP3A4 (0.52) | AKR1C3AKR1C2AKR1C1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8613665 | 0.86 | MEN1 (0.64) | MEN1KMT2APTGER4CYP3A4ALDH1A1 |
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 |