Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL9534319 | 0.71 | TSHR (0.42) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 | |
| SCHEMBL7446846 | 0.70 | TSHR (0.39) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 | |
| SCHEMBL27491083 | 0.70 | BCL2 (0.50) | TSHRCYP3A4BCL2BCL2L1ALDH1A1 | |
| SCHEMBL7444181 | 0.67 | TSHR (0.38) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 | |
| SCHEMBL9446224 | 0.65 | HRH1 (0.44) | TSHRCYP3A4CYP1A2CYP2C9L3MBTL1 | |
| SCHEMBL2799335 | 0.64 | BCL2 (0.50) | CYP3A4BCL2BCL2L1MEN1KMT2A | |
| SCHEMBL9126315 | 0.63 | TSHR (0.52) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 | |
| SCHEMBL27540021 | 0.63 | TSHR (0.52) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 | |
| SCHEMBL28436811 | 0.63 | HTR2A (0.36) | TSHRCYP2D6CYP2C19CYP3A4BCL2 | |
| SCHEMBL27766900 | 0.63 | TSHR (0.42) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |