Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL1662351 | 0.77 | DHFR (0.53) | ADORA1ADORA2AHTTPKMGAA | |
| SCHEMBL6947944 | 0.75 | ALDH1A1 (0.56) | ADORA1ADORA2AALDH1A1LMNACYP1A2 | |
| SCHEMBL12797095 | 0.75 | JAK3 (0.53) | ALDH1A1LMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4805775 | 0.75 | ALDH1A1 (0.55) | ADORA1ADORA2AALDH1A1LMNACYP1A2 | |
| SCHEMBL31124367 | 0.73 | MERTK (0.62) | ADORA1ADORA2ACYP3A4PKM | |
| SCHEMBL29761063 | 0.73 | ADORA2A (0.39) | ADORA1ADORA2AMET | |
| SCHEMBL15691466 | 0.73 | ALDH1A1 (0.53) | ADORA1ADORA2AALDH1A1LMNACYP1A2 | |
| SCHEMBL4455442 | 0.73 | ADORA2A (1.00) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL31303156 | 0.72 | ADORA2A (0.55) | ADORA1ADORA2ANPBWR1 | |
| SCHEMBL7093764 | 0.72 | ADORA2A (0.73) | ADORA1ADORA2AADORA3ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018079988-A1 | COMPOUND USEFUL AS TRAP1 INHIBITOR, AND ANTICANCER COMPOSITION CONTAINING SAME | 울산과학기술원 | 2018-05-03 | — | — | WO | disclosed |