Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL25235485 | 0.80 | KCNB1 (0.34) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL25284925 | 0.79 | HDAC1 (0.35) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL30457381 | 0.78 | GHSR (0.34) | GHSRACACBHDAC1 | |
| SCHEMBL25288325 | 0.78 | GHSR (0.34) | GHSRACACBHDAC1 | |
| SCHEMBL25288326 | 0.78 | GHSR (0.34) | GHSRACACBHDAC1 | |
| SCHEMBL25288327 | 0.78 | GHSR (0.34) | GHSRACACBHDAC1 | |
| SCHEMBL30671308 | 0.76 | MAPT (0.38) | LMNAMEN1ALDH1A1KMT2A | |
| SCHEMBL31362647 | 0.74 | SMN1; SMN2 (0.44) | CYP1A2TSHRCYP2C19LMNAMEN1 | |
| SCHEMBL18640937 | 0.74 | SMN1; SMN2 (0.44) | CYP1A2TSHRCYP2C19LMNAMEN1 | |
| SCHEMBL20142638 | 0.71 | ALDH1A1 (0.46) | CYP1A2CYP2C9CYP2C19MEN1ALDH1A1 |
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-2023110843-A1 | HETEROBICYCLIC DERIVATIVES AS ITK INHIBITORS | ALMIRALL, S.A. (ES) | 2023-06-22 | — | — | WO | disclosed |