Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2946378 | 0.74 | CYP3A4 (0.61) | ADORA3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL4584939 | 0.74 | CYP3A4 (0.61) | ADORA3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL9302319 | 0.71 | KMT2A (0.54) | KDM4EMAPTKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9304860 | 0.70 | ADORA2B (0.38) | ADORA3ADORA2AADORA1KDM4EKMT2A | |
| SCHEMBL11033311 | 0.66 | CYP3A4 (0.70) | ADORA3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL10769766 | 0.66 | ALDH1A1 (0.50) | ADORA3ADORA2AKDM4EMAPTKMT2A | |
| SCHEMBL8985073 | 0.64 | GSK3B (0.67) | KDM4EMAPTKMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL30928905 | 0.64 | ALDH1A1 (0.53) | ADORA3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL4186443 | 0.63 | SMN1; SMN2 (0.43) | ADORA3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL9301449 | 0.63 | ATM (0.58) | KMT2ASMN1; SMN2L3MBTL1MEN1HTT |
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 |