Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 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 | |
|---|---|---|---|---|
| SCHEMBL18036533 | 0.83 | ADORA2B (0.38) | POLBADORA2BADORA3ALDH1A1LMNA | |
| SCHEMBL941658 | 0.81 | ALDH1A1 (0.34) | POLBALDH1A1HPGD | |
| SCHEMBL7972792 | 0.81 | NPSR1 (0.35) | ALDH1A1CYP2C19CYP3A4HPGD | |
| SCHEMBL8536540 | 0.81 | NPSR1 (0.32) | ALDH1A1CYP2C19CYP3A4HPGD | |
| SCHEMBL18039294 | 0.81 | ADORA2B (0.40) | POLBADORA2BADORA3ALDH1A1LMNA | |
| SCHEMBL11215917 | 0.81 | PDE4A (0.43) | POLBADORA2BADORA3ALDH1A1LMNA | |
| SCHEMBL4623642 | 0.81 | ALDH1A1 (0.41) | POLBADORA2BADORA3ALDH1A1LMNA | |
| SCHEMBL2842236 | 0.81 | NPSR1 (0.32) | ALDH1A1CYP2C19CYP3A4HPGD | |
| SCHEMBL7112265 | 0.79 | ADORA2B (0.54) | ADORA2BADORA3ADORA2AADORA1CYP3A4 | |
| SCHEMBL6755794 | 0.77 | ADORA2B (0.38) | POLBADORA2BADORA3ALDH1A1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545627-A | VASODILATORS, DIURETICS, IMMUNOSUPPRESSANTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5298508-A | Compounds as ligands for cardiovascular disorders or stimulant of immunology | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-03-29 | — | — | US | disclosed |
| EP-0256692-B1 | 6-THIOXANTHINES | Euroceltique S.A. (LU) | 1992-09-16 | — | — | EP | disclosed |
| US-5010081-A | Bronchodilator agents | EUROCELTIQUE, S.A. (LU) | 1991-04-23 | — | — | US | disclosed |
| US-4925847-A | BRONCHODILATORS | EUROCELTIQUE, S.A. (LU) | 1990-05-15 | — | — | US | disclosed |
| EP-0256692-A2 | 6-Thioxanthines | Euroceltique S.A. (LU) | 1988-02-24 | — | — | EP | disclosed |
| US-4546182-A | TREATMENT OF RESPIRATORY AND CARDIO-VASCULAR DISORDERS | AKTIEBOLAGET DRACO (SE) | 1985-10-08 | — | — | US | disclosed |
| EP-0038784-B1 | 3,8-DIALKYLXANTHINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | Aktiebolaget DRACO (SE) | 1984-10-31 | — | — | EP | disclosed |
| EP-0038784-A2 | 3,8-Dialkylxanthines, processes for their preparation and compositions containing them | Aktiebolaget DRACO (SE) | 1981-10-28 | — | — | EP | disclosed |