Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | ILK | Q13418 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL313190 | 0.87 | APLNR (0.33) | ALDH1A1KDM4EAPLNRTDP1CYP19A1 | |
| SCHEMBL8004421 | 0.87 | ADORA2A (0.39) | ADORA2AADORA1ALDH1A1KDM4EAPLNR | |
| SCHEMBL8003752 | 0.86 | ADORA2A (0.38) | ADORA2AADORA1ALDH1A1APLNRRAD52 | |
| SCHEMBL8006162 | 0.81 | ALDH1A1 (0.37) | ALDH1A1KDM4EAPLNRTDP1HTR2A | |
| SCHEMBL10272030 | 0.79 | ALDH1A1 (0.34) | ALDH1A1KDM4EAPLNRTDP1CYP19A1 | |
| SCHEMBL1496428 | 0.78 | APLNR (0.35) | ALDH1A1KDM4EAPLNRPDPK1TDP1 | |
| SCHEMBL996629 | 0.78 | ALDH1A1 (0.33) | ALDH1A1KDM4EAPLNRTDP1CYP19A1 | |
| SCHEMBL577814 | 0.77 | ALDH1A1 (0.33) | ALDH1A1KDM4EAPLNRTDP1CYP19A1 | |
| SCHEMBL8003339 | 0.77 | POLB (0.39) | ADORA2AADORA1ALDH1A1KDM4ERAD52 | |
| SCHEMBL995496 | 0.76 | ALDH1A1 (0.35) | ALDH1A1KDM4EAPLNRTDP1CYP19A1 |
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-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |