Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3019661 | 0.79 | ADORA2A (0.49) | ADORA1ADORA2ANQO2CYP19A1AR | |
| SCHEMBL7978388 | 0.79 | ADORA1 (0.61) | ADORA1ADORA2ACA5ACYP3A4BLM | |
| SCHEMBL10821728 | 0.76 | AR (0.40) | NQO2CYP19A1ARKDM4EALDH1A1 | |
| SCHEMBL11591796 | 0.76 | ADORA1 (0.53) | ADORA1ADORA2ACA5ACYP3A4BLM | |
| SCHEMBL11590712 | 0.72 | AR (0.55) | ADORA1ADORA2AARKMT2AKDM4E | |
| SCHEMBL29437720 | 0.72 | AR (0.55) | ADORA1ADORA2AARKMT2AKDM4E | |
| SCHEMBL11588963 | 0.71 | ADORA1 (0.51) | ADORA1ADORA2ACA5AXDHPDE3B | |
| SCHEMBL30681004 | 0.70 | ADORA1 (0.47) | ADORA1ADORA2ACA5AARCYP3A4 | |
| SCHEMBL1771739 | 0.68 | AR (0.56) | NQO2CYP19A1ARKDM4EALDH1A1 | |
| SCHEMBL11589180 | 0.67 | ADORA1 (0.58) | ADORA1ADORA2ACA5AXDHKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4103257-A | BLUE TO NEAR ULTRAVIOLET | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1978-07-25 | — | — | US | disclosed |