Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL3435824 | 0.89 | ADORA2B (0.80) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL9765879 | 0.84 | ADORA2B (0.85) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| 8-Phenyl Theophylline SCHEMBL516432 | 0.81 | ADORA2A (1.00) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL9765873 | 0.80 | ADORA2B (0.70) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL14564545 | 0.80 | ADORA2B (0.67) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL9840392 | 0.78 | ADORA2B (0.81) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL10747983 | 0.77 | ADORA2B (0.70) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL9765918 | 0.77 | ADORA2B (0.85) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL661108 | 0.76 | ADORA2B (1.00) | ADORA2BADORA1KDM4ECYP1A2HSD17B10 | |
| SCHEMBL7039451 | 0.76 | ADORA2B (0.86) | ADORA2BKDM4ECYP1A2HSD17B10ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0383868-A4 | 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES | — | 1991-12-04 | — | — | EP | disclosed |
| US-5032593-A | Anithistamines | MARION MERRELL DOW INC. (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0383868-A1 | 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES | MARION LABORATORIES, INC. (US) | 1990-08-29 | — | — | EP | disclosed |
| WO-1990000056-A1 | 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES | MARION LABORATORIES, INC. (US) | 1990-01-11 | — | — | WO | disclosed |