Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10614807 | 0.88 | ADORA2B (0.57) | KDM4EADORA2BCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL7318169 | 0.81 | KDM4E (0.76) | KDM4EADORA2BCYP1A2ALDH1A1HPGD | |
| SCHEMBL10614407 | 0.81 | ADORA2B (0.71) | KDM4EKMT2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL25090518 | 0.78 | KDM4E (0.74) | KDM4EADORA2BCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL8596143 | 0.76 | KDM4E (0.76) | KDM4EADORA2BCYP1A2ALDH1A1HPGD | |
| SCHEMBL25090589 | 0.76 | KDM4E (0.60) | KDM4EADORA2BCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL25090517 | 0.75 | KDM4E (0.60) | KDM4EADORA2BCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL25090647 | 0.74 | KDM4E (0.62) | KDM4EADORA2BCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL10614242 | 0.74 | ADORA2B (0.53) | ADORA2BADORA2A | |
| SCHEMBL25090354 | 0.74 | KDM4E (0.72) | KDM4EADORA2BCYP1A2ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4769377-A | Adenosine receptor antagonists | THE JOHNS HOPKINS UNIVERSITY (US) | 1988-09-06 | — | — | US | disclosed |
| US-4593095-A | ADENOSINE RECEPTOR ANTAGONISTS | THE JOHNS HOPKINS UNIVERSITY (US) | 1986-06-03 | — | — | US | disclosed |