Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22916183 | 0.78 | ALDH1A1 (0.55) | CYP3A4ALDH1A1TSHRL3MBTL1ABCB1 | |
| SCHEMBL23656620 | 0.74 | PDE10A (0.44) | HDAC1HDAC2HDAC8PDE10AALDH1A1 | |
| SCHEMBL10188117 | 0.74 | SMN1; SMN2 (0.41) | POLBKMT2AL3MBTL1P2RX3 | |
| SCHEMBL21455251 | 0.73 | PDE10A (0.43) | HDAC1HDAC2HDAC8PDE10AALDH1A1 | |
| SCHEMBL22916164 | 0.72 | HDAC1 (0.38) | HDAC1HDAC2HDAC8PDE10AALDH1A1 | |
| SCHEMBL29957865 | 0.72 | HDAC1 (0.36) | HDAC1HDAC2HDAC8PDE10APOLB | |
| Phosphoric Acid SCHEMBL4710580 | 0.71 | ALDH1A1 (0.35) | CYP3A4FFAR1FFAR4PDE10AALDH1A1 | |
| SCHEMBL18579756 | 0.71 | ALDH1A1 (0.53) | CYP3A4ALDH1A1POLB | |
| SCHEMBL171317 | 0.71 | MRGPRX4 (0.38) | HDAC1HDAC2HDAC8PDE10APOLB | |
| SCHEMBL12180315 | 0.71 | ACHE (0.59) | CYP3A4HDAC1HDAC2HDAC8PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3317285-B1 | CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES | TURNING POINT THERAPEUTICS INC (US) | 2021-01-27 | — | — | EP | disclosed |