Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL16946794 | 0.77 | RBP4 (0.34) | TDO2JAK2JAK1JAK3ROCK2 | |
| SCHEMBL20903528 | 0.77 | — | — | |
| SCHEMBL16946791 | 0.76 | TRPA1 (0.35) | JAK2JAK1JAK3KDM4EALK | |
| SCHEMBL18352377 | 0.76 | TRPA1 (0.35) | JAK2JAK1JAK3KDM4EALK | |
| SCHEMBL21941539 | 0.76 | — | — | |
| SCHEMBL30304109 | 0.70 | ALDH1A1 (0.49) | ADRB2ADRB1HRH1KDM4EALDH1A1 | |
| SCHEMBL29189194 | 0.70 | ALDH1A1 (0.49) | ADRB2ADRB1HRH1KDM4EALDH1A1 | |
| SCHEMBL21941188 | 0.68 | INPPL1 (0.39) | NTRK1ALK | |
| SCHEMBL18357995 | 0.65 | RBP4 (0.33) | NTRK1ALK | |
| SCHEMBL12253038 | 0.64 | KDM4E (0.49) | HRH1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3636650-A1 | DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES | Turning Point Therapeutics, Inc. (US) | 2020-04-15 | — | — | EP | disclosed |
| EP-3636649-A1 | DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES | Turning Point Therapeutics, Inc. (US) | 2020-04-15 | — | — | EP | disclosed |