Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL88218 | 0.75 | ALDH1A1 (0.47) | MAPTKDM4EALDH1A1POLBCYP2C19 | |
| Water SCHEMBL3902406 | 0.73 | ALDH1A1 (0.46) | MAPTKDM4EALDH1A1POLBCYP2C19 | |
| Hydrochloric Acid SCHEMBL6316692 | 0.73 | ALDH1A1 (0.46) | MAPTKDM4EALDH1A1POLBCYP2C19 | |
| Sulfurous Acid SCHEMBL5098561 | 0.67 | ALDH1A1 (0.44) | MAPTKDM4EALDH1A1POLBKMT2A | |
| SCHEMBL3056710 | 0.64 | ALDH1A1 (0.34) | KDM4EALDH1A1POLBKMT2A | |
| SCHEMBL33658 | 0.64 | BCHE (0.33) | CASP6KMT2A | |
| SCHEMBL14791110 | 0.63 | CASP6 (0.41) | CASP6MAPTKDM4EKDM4AALDH1A1 | |
| SCHEMBL7473943 | 0.62 | GSK3B (0.38) | CASP6MAPTKDM4EALDH1A1POLB | |
| SCHEMBL28438188 | 0.62 | ADORA2A (0.45) | MAPTKDM4EALDH1A1POLBCYP2C19 | |
| SCHEMBL28429328 | 0.62 | TSHR (0.46) | MAPTKDM4EALDH1A1POLBCYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0203721-B1 | 8-PHENYL XANTHINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-06-10 | — | — | EP | disclosed |
| US-5017577-A | Using Purine Cinnamic Acids | BURROUGHS WELLCOME CO. (US) | 1991-05-21 | — | — | US | disclosed |
| US-5015647-A | Using Purine Cinnamic Acid Compounds | BURROUGHS WELLCOME CO. (US) | 1991-05-14 | — | — | US | disclosed |
| US-4981857-A | ADENOSINE ANTAGONIST | BURROUGHS WELLCOME CO. (US) | 1991-01-01 | — | — | US | disclosed |
| US-4879296-A | BLOCKING ADERNOSINE CELL SURFACE EFFECTS | BURROUGHS WELLCOME CO. (US) | 1989-11-07 | — | — | US | disclosed |
| EP-0203721-A2 | 8-Phenyl xanthines | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-12-03 | — | — | EP | disclosed |