Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GRK6 | P43250 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9501414 | 0.82 | GRK6 (0.34) | CYP3A4GRK6POLBUSP2ALDH1A1 | |
| SCHEMBL9304641 | 0.82 | CDK2 (0.39) | CYP3A4GRK6POLBUSP2ALDH1A1 | |
| SCHEMBL9305415 | 0.74 | ALDH1A1 (0.44) | CYP3A4GRK6POLBUSP2ALDH1A1 | |
| SCHEMBL9300537 | 0.71 | DPP4 (0.32) | KDM4E | |
| SCHEMBL9308527 | 0.69 | ADORA2B (0.45) | CYP3A4POLBUSP2ALDH1A1KDM4E | |
| SCHEMBL9308358 | 0.69 | ADORA2B (0.52) | POLBALDH1A1MAPTADORA2BADORA2A | |
| SCHEMBL8505340 | 0.66 | GAA (0.42) | CYP3A4POLBALDH1A1TSHRKDM4E | |
| SCHEMBL4759502 | 0.64 | CYP3A4 (0.58) | CYP3A4USP2ALDH1A1KDM4EHPGD | |
| SCHEMBL4828458 | 0.62 | KDM4E (0.63) | CYP3A4POLBALDH1A1TSHRKDM4E | |
| SCHEMBL10616188 | 0.62 | CYP3A4 (0.50) | CYP3A4POLBUSP2ALDH1A1KDM4E |
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-5314890-A | Treatment of asthma | MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) | 1994-05-24 | — | — | US | disclosed |
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0531349-A1 | 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) | 1993-03-17 | — | — | EP | disclosed |
| WO-1991017993-A1 | 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A (IT) | 1991-11-28 | — | — | WO | disclosed |