Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22824154 | 0.85 | CASP1 (0.44) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL2632877 | 0.75 | PNMT (0.59) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL423182 | 0.73 | CYP1A2 (0.68) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL22801396 | 0.73 | CYP1A2 (0.68) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL8460681 | 0.73 | CYP1A2 (0.52) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL9770072 | 0.72 | PNMT (0.55) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL2632878 | 0.72 | PNMT (0.55) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL21776127 | 0.72 | PNMT (0.55) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL8750426 | 0.72 | ADRA2A (0.40) | CYP1A2CYP3A4CYP2D6NFKB1ALDH1A1 | |
| SCHEMBL11501928 | 0.71 | CYP1A2 (0.65) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 |
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-2020063760-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2020-04-02 | — | — | WO | disclosed |