Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GRK6 | P43250 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | FPR1 | P21462 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041805 | 0.78 | TNF (0.43) | ALDH1A1TSHRGRK6MAPTKDM4E | |
| SCHEMBL9303572 | 0.74 | CYP3A4 (0.37) | ALDH1A1TSHRGRK6GAAMAPT | |
| SCHEMBL7038232 | 0.72 | ALDH1A1 (0.37) | ALDH1A1MAPTTDP1ALOX15HSD17B10 | |
| SCHEMBL6778694 | 0.72 | PDE4D (0.35) | GRK6MAPTUSP2HPGDPOLB | |
| SCHEMBL9300556 | 0.72 | MAPT (0.39) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7040447 | 0.71 | MAPT (0.34) | ALDH1A1MAPTPOLB | |
| SCHEMBL7038766 | 0.71 | KDM4E (0.46) | ALDH1A1TSHRMAPTTDP1ALOX15 | |
| SCHEMBL7036369 | 0.71 | MTNR1A (0.38) | ALDH1A1TSHRGRK6MAPTUSP2 | |
| SCHEMBL9501414 | 0.70 | GRK6 (0.34) | ALDH1A1TSHRGRK6GAAMAPT | |
| SCHEMBL9304641 | 0.70 | CDK2 (0.39) | ALDH1A1TSHRGRK6GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5314890-A | Treatment of asthma | MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) | 1994-05-24 | — | — | 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 |