Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.64 |
| ▸ | CA1 | P00915 | 3/20 | 0.64 |
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | CA9 | Q16790 | 3/20 | 0.64 |
| ▸ | TACR3 | P29371 | 5/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | RUVBL1 | Q9Y265 | 1/20 | 0.49 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8618210 | 0.89 | RUVBL1 (0.56) | CA12CA1CA2CA9TACR3 | |
| SCHEMBL8617743 | 0.86 | CYP3A4 (0.65) | CA12CA1CA2CA9TACR3 | |
| SCHEMBL8619426 | 0.86 | TACR3 (0.55) | CA12CA1CA2CA9TACR3 | |
| SCHEMBL8615253 | 0.86 | CYP3A4 (0.53) | CA12CA1CA2CA9TACR3 | |
| SCHEMBL2372402 | 0.85 | CA12 (0.63) | CA12CA1CA2CA9TACR3 | |
| Hydrochloric Acid SCHEMBL8620745 | 0.85 | CYP3A4 (0.64) | TACR3ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL8617790 | 0.85 | KDM4E (0.54) | CA12CA1CA2CA9TACR3 | |
| SCHEMBL8614859 | 0.84 | AKR1C3 (0.67) | CA12CA1CA2CA9TACR3 | |
| SCHEMBL8614339 | 0.84 | CYP3A4 (0.54) | CA12CA1CA2CA9TACR3 | |
| SCHEMBL8615217 | 0.84 | TACR3 (0.53) | CA12CA1CA2CA9TACR3 |
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 |