Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5441771 | 0.74 | ADORA2B (0.46) | ADORA2BADORA3CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9305429 | 0.70 | ADORA3 (0.44) | ADORA3CYP3A4KDM4EALDH1A1HTT | |
| SCHEMBL28178756 | 0.70 | ADORA2B (0.43) | ADORA2BADORA3CYP3A4KDM4EALDH1A1 | |
| SCHEMBL157928 | 0.63 | CYP3A4 (0.71) | ADORA2BADORA3CYP3A4KDM4EALDH1A1 | |
| SCHEMBL5449552 | 0.62 | CYP3A4 (0.50) | ADORA2BADORA3CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9300715 | 0.62 | L3MBTL1 (0.32) | ADORA2BADORA3KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11077876 | 0.62 | CYP3A4 (0.68) | ADORA2BADORA3CYP3A4KDM4EALDH1A1 | |
| SCHEMBL181982 | 0.62 | CYP3A4 (0.54) | ADORA2BADORA3CYP3A4KDM4EALDH1A1 | |
| SCHEMBL26948738 | 0.61 | ADORA3 (0.46) | ADORA2BADORA3CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11591427 | 0.61 | ADORA2B (0.57) | ADORA2BADORA3CYP3A4KDM4EUSP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| 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 |