Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SELPLG | Q14242 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16962786 | 0.81 | CYP2D6 (0.41) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL19779815 | 0.80 | TSHR (0.43) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL2632877 | 0.77 | PNMT (0.59) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL17790152 | 0.77 | TSHR (0.59) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL3789761 | 0.77 | TSHR (0.59) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL19518928 | 0.77 | TSHR (0.59) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL16956554 | 0.76 | ALDH1A1 (0.40) | CYP2D6NFKB1CYP1A2CYP3A4PNMT | |
| SCHEMBL19779505 | 0.74 | TSHR (0.57) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL22256520 | 0.74 | CFD (0.49) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL12224189 | 0.74 | TSHR (0.47) | TSHRCYP2D6NFKB1CYP1A2CYP3A4 |
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-2022098625-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-05-12 | — | — | WO | disclosed |