Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Inamrinone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3A known ✓ | Q14432 | 2/20 | 0.77 |
| ▸ | AURKB | Q96GD4 | 13/20 | 0.77 |
| ▸ | INCENP | Q9NQS7 | 13/20 | 0.77 |
| ▸ | TTK | P33981 | 12/20 | 0.77 |
| ▸ | AURKA | O14965 | 11/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | THRB | P10828 | 2/20 | 0.77 |
| ▸ | CASP1 | P29466 | 2/20 | 0.77 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | GLA | P06280 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | HPGD | P15428 | 1/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| Inamrinone SCHEMBL44012 | 0.88 | AURKB (1.00) | AURKBINCENPTTKAURKAMAPT | |
| Inamrinone SCHEMBL11447555 | 0.81 | AURKB (0.84) | AURKBINCENPTTKAURKAMAPT | |
| Inamrinone SCHEMBL11467035 | 0.81 | AURKB (0.84) | AURKBINCENPTTKAURKAMAPT | |
| SCHEMBL4152091 | 0.79 | NTRK1 (0.55) | AURKBINCENPTTKAURKAMAPT | |
| Inamrinone SCHEMBL11449946 | 0.78 | AURKB (0.79) | AURKBINCENPTTKAURKAMAPT | |
| SCHEMBL21469807 | 0.76 | NTRK1 (0.53) | AURKBINCENPTTKAURKAMAPT | |
| SCHEMBL11449641 | 0.76 | AURKB (0.66) | AURKBINCENPTTKAURKAMAPT | |
| SCHEMBL11368332 | 0.76 | TTK (1.00) | AURKBINCENPTTKAURKAMAPT | |
| Inamrinone SCHEMBL739746 | 0.75 | AURKB (0.73) | AURKBINCENPTTKAURKAMAPT | |
| SCHEMBL10992408 | 0.74 | AURKB (0.72) | AURKBINCENPTTKAURKAMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5728705-A | Method of inducing vasorelaxation to treat pulmonary hypertension | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1998-03-17 | — | — | US | disclosed |