Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9755577 | 0.85 | ALDH1A1 (0.36) | ALDH1A1ROCK2HTTMAPTHPGD | |
| SCHEMBL9755580 | 0.71 | PKM (0.32) | ALDH1A1HTTKMT2APKMLMNA | |
| SCHEMBL25669632 | 0.67 | NPSR1 (0.39) | ALDH1A1ROCK2HTTMAPTHPGD | |
| SCHEMBL9330238 | 0.67 | HSD11B1 (0.36) | ALDH1A1ROCK2HTTNPSR1MEN1 | |
| SCHEMBL9329826 | 0.66 | ALDH1A1 (0.53) | ALDH1A1HTTMAPTHPGDCCR6 | |
| SCHEMBL7317875 | 0.66 | FAAH (0.36) | ALDH1A1ROCK2HTTMAPTNPSR1 | |
| SCHEMBL8881199 | 0.61 | DAGLA (0.39) | ALDH1A1ROCK2HTTMAPTHPGD | |
| SCHEMBL96013 | 0.61 | FAAH (0.39) | ALDH1A1ROCK2HTTMAPTHPGD | |
| SCHEMBL22952393 | 0.60 | ALDH1A1 (0.57) | ALDH1A1HTTMAPTHPGDCCR6 | |
| SCHEMBL24038267 | 0.60 | MEN1 (0.46) | ROCK2HPGDNPSR1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5302613-A | Antiatheroscleroic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones | THE UPJOHN COMPANY (US) | 1994-04-12 | — | — | US | disclosed |
| US-5252735-A | Antiatherosclerotic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones | THE UPJOHN COMPANY (US) | 1993-10-12 | — | — | US | disclosed |