Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL24228758 | 0.89 | CACNA1S (0.43) | CYP3A4TSHRCACNA1SPTGS1PTGS2 | |
| SCHEMBL29373482 | 0.89 | CACNA1S (0.43) | CYP3A4TSHRCACNA1SPTGS1PTGS2 | |
| SCHEMBL30445533 | 0.89 | CACNA1S (0.43) | CYP3A4TSHRCACNA1SPTGS1PTGS2 | |
| SCHEMBL24228678 | 0.89 | CACNA1S (0.43) | CYP3A4TSHRCACNA1SPTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL29370572 | 0.88 | CACNA1S (0.42) | CYP3A4TSHRCACNA1SPTGS1PTGS2 | |
| SCHEMBL24228689 | 0.86 | KDM1A (0.40) | TSHRPOLBALDH1A1GSK3BMEN1 | |
| SCHEMBL26049380 | 0.78 | GAA (0.47) | TSHRPOLBALDH1A1GSK3BGAA | |
| SCHEMBL6313787 | 0.73 | KDM1A (0.43) | TSHRPOLBCYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL29373153 | 0.72 | GSK3B (0.35) | GSK3BTP53SMN1; SMN2 | |
| SCHEMBL24228688 | 0.72 | GSK3B (0.35) | GSK3BTP53SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2022023439-A1 | RADIOLABELED COMPOUNDS | KING'S COLLEGE LONDON (GB) | 2022-02-03 | — | — | WO | disclosed |