Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 5/20 | 0.64 |
| ▸ | ERCC4 | Q92889 | 5/20 | 0.64 |
| ▸ | TTK | P33981 | 3/20 | 0.64 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.64 |
| ▸ | INCENP | Q9NQS7 | 3/20 | 0.64 |
| ▸ | AURKA | O14965 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL1585629 | 0.81 | ERCC1 (0.68) | ERCC1ERCC4TTKAURKBINCENP | |
| SCHEMBL10983600 | 0.78 | ERCC1 (0.47) | ERCC1ERCC4TTKAURKBINCENP | |
| SCHEMBL11450001 | 0.78 | TTK (0.64) | ERCC1ERCC4TTKAURKBINCENP | |
| SCHEMBL14213391 | 0.78 | TTK (0.64) | TTKAURKBINCENPAURKAKDM4E | |
| SCHEMBL11252537 | 0.78 | TTK (0.64) | TTKAURKBINCENPAURKAKDM4E | |
| Inamrinone SCHEMBL44012 | 0.78 | AURKB (1.00) | TTKAURKBINCENPAURKAKDM4E | |
| SCHEMBL15614572 | 0.78 | ERCC1 (1.00) | ERCC1ERCC4TTKAURKBINCENP | |
| SCHEMBL11163292 | 0.77 | TTK (0.58) | TTKAURKBINCENPAURKAKDM4E | |
| SCHEMBL11295345 | 0.77 | TTK (0.58) | TTKAURKBINCENPAURKAKDM4E | |
| SCHEMBL8853769 | 0.76 | CCNC (0.64) | TTKAURKBINCENPAURKAKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4225601-A | 3-Hydroxy or hydroxymethyl-5-(4-pyridinyl)2(1H)-pyridinones, useful as cardiotonic agents and their preparation | STERLING DRUG INC. (US) | 1980-09-30 | — | — | US | claimed |
| US-4361569-A | 3-(Hydroxy or hydroxymethyl)-6-methyl-5-(4-pyridinyl)-2(1H)-pyridinone and cardiotonic use thereof | STERLING DRUG INC. (US) | 1982-11-30 | — | — | US | disclosed |
| US-4225601-A | 3-Hydroxy or hydroxymethyl-5-(4-pyridinyl)2(1H)-pyridinones, useful as cardiotonic agents and their preparation | STERLING DRUG INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4225601-A | 3-Hydroxy or hydroxymethyl-5-(4-pyridinyl)2(1H)-pyridinones, useful as cardiotonic agents and their preparation | STERLING DRUG INC. (US) | 1980-09-30 | — | — | US | disclosed |