Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | RAD52 | P43351 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14554255 | 0.85 | HTR1A (0.47) | MAPTGAARAD52GFERALDH1A1 | |
| SCHEMBL10088504 | 0.85 | ALDH1A1 (0.53) | CHKAMAPTGAARAD52GFER | |
| SCHEMBL6111730 | 0.84 | RAD52 (0.61) | MAPTGAARAD52GFERALDH1A1 | |
| SCHEMBL29493256 | 0.83 | MAPT (0.45) | CHKAMAPTGAARAD52GFER | |
| SCHEMBL14922289 | 0.82 | CHKA (0.50) | CHKAMAPTRAD52ALDH1A1KDM4E | |
| SCHEMBL14687616 | 0.82 | HTR3A (0.56) | HTR1AHTR3A | |
| SCHEMBL14922273 | 0.80 | DRD2 (0.55) | CHKAMAPTALDH1A1KDM4EPOLB | |
| SCHEMBL14922307 | 0.78 | ASIC3 (0.49) | CHKAALDH1A1L3MBTL1 | |
| SCHEMBL29287728 | 0.77 | CYP2D6 (0.39) | MAPTGAARAD52GFERALDH1A1 | |
| SCHEMBL7923952 | 0.77 | HTR1A (0.58) | MAPTGAAALDH1A1POLBKMT2A |
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-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |