Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11032701 | 0.75 | ADORA2A (0.56) | ADORA3ADORA2AADORA2BADORA1POLB | |
| SCHEMBL925865 | 0.74 | HSP90AA1 (0.53) | ADORA3ADORA2AADORA2BADORA1POLB | |
| SCHEMBL9489052 | 0.73 | SMN1; SMN2 (0.70) | ADORA3ADORA2AADORA2BADORA1POLB | |
| SCHEMBL30740045 | 0.73 | SMN1; SMN2 (0.70) | ADORA3ADORA2AADORA2BADORA1POLB | |
| SCHEMBL28880529 | 0.73 | RAB9A (0.76) | ADORA3ADORA2AADORA2BADORA1POLB | |
| SCHEMBL6983354 | 0.72 | PTK2 (0.49) | ADORA3ADORA2AADORA2BADORA1POLB | |
| SCHEMBL9791640 | 0.70 | ADORA2A (0.62) | ADORA3ADORA2AADORA2BADORA1POLB | |
| SCHEMBL20839255 | 0.70 | KDM4E (0.43) | ADORA1RAB9ANPC1KDM4EGAA | |
| SCHEMBL23079607 | 0.70 | ALDH1A1 (0.40) | POLBKDM4ETSHRALOX15ATM | |
| SCHEMBL25292955 | 0.69 | TP53 (0.48) | RAB9ANPC1KDM4EMAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104114543-A | Therapeutically active compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2014-10-22 | — | — | CN | disclosed |