Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | VCP | P55072 | 3/20 | 0.43 |
| ▸ | PSMC4 | P43686 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7827356 | 0.99 | ALDH1A1 (0.46) | ALDH1A1ADORA1ADORA2AVCPPSMC4 | |
| SCHEMBL6997961 | 0.83 | VCP (0.48) | ALDH1A1VCPPSMC4SMN1; SMN2KDM4E | |
| SCHEMBL7001373 | 0.82 | VCP (0.47) | ALDH1A1ADORA1VCPPSMC4SMN1; SMN2 | |
| SCHEMBL7003186 | 0.81 | KDM4E (0.48) | ALDH1A1ADORA1ADORA2AVCPPSMC4 | |
| SCHEMBL6995074 | 0.80 | VCP (0.46) | ALDH1A1ADORA1ADORA2AVCPPSMC4 | |
| SCHEMBL7005671 | 0.80 | VCP (0.51) | ALDH1A1ADORA1ADORA2AVCPPSMC4 | |
| SCHEMBL5063322 | 0.79 | VCP (0.67) | ALDH1A1ADORA1ADORA2AVCPPSMC4 | |
| SCHEMBL5068264 | 0.78 | VCP (0.66) | ALDH1A1ADORA1ADORA2AVCPPSMC4 | |
| SCHEMBL7003043 | 0.78 | SRC (0.40) | VCPPSMC4ADORA3RXFP1 | |
| SCHEMBL7002603 | 0.78 | VCP (0.49) | ALDH1A1ADORA1ADORA2AVCPPSMC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140938-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | Princeton University (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000042042-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | PRINCETON UNIVERSITY (US) | 2000-07-20 | — | — | WO | disclosed |