Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CD38 | P28907 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL27808257 | 0.86 | IDO1 (0.56) | IDO1RPS6KB1AKT1CA1SMN1; SMN2 | |
| SCHEMBL4220608 | 0.80 | ADRA1A (0.46) | ADRA1AADRA1BCA1CA12CA7 | |
| SCHEMBL4220977 | 0.80 | CDC7 (0.56) | ADRA1AADRA1BCA1CA12CA7 | |
| SCHEMBL1415184 | 0.80 | GABRP (0.44) | ADRA1AADRA1BCA1CA12CA14 | |
| SCHEMBL1415186 | 0.77 | NR4A1 (0.44) | CA1CA12CA7CA14KDM4E | |
| SCHEMBL3291794 | 0.75 | CA1 (0.53) | CA1CA12CA7CA14CA2 | |
| SCHEMBL27557341 | 0.75 | CDC25B (0.40) | CA1CA12CA7CA14KDM4E | |
| SCHEMBL8837258 | 0.74 | ALDH1A1 (0.55) | ADRA1AADRA1BCA1CA12CA7 | |
| SCHEMBL14627192 | 0.73 | AR (0.41) | ADRA1AADRA1BCA1CA12CA14 | |
| SCHEMBL1336338 | 0.73 | HTR6 (0.67) | HTR6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101772506-B | Macrocycles and their uses | NOVARTIS AG | 2014-02-12 | — | — | CN | disclosed |
| CN-101772506-A | Macrocylc compound and uses thereof | NOVARTIS AG | 2010-07-07 | — | — | CN | disclosed |