Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7446846 | 0.78 | TSHR (0.39) | TSHRCYP2D6CYP2C19CYP3A4GAA | |
| SCHEMBL7444181 | 0.77 | TSHR (0.38) | TSHRCYP2D6CYP2C19CYP3A4GAA | |
| SCHEMBL27491083 | 0.74 | BCL2 (0.50) | TSHRCYP3A4BCL2BCL2L1MEN1 | |
| SCHEMBL7438371 | 0.71 | TSHR (0.38) | TSHRCYP2D6CYP2C19CYP3A4BCL2 | |
| SCHEMBL9446224 | 0.70 | HRH1 (0.44) | TSHRCYP3A4SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL2799335 | 0.68 | BCL2 (0.50) | CYP3A4BCL2BCL2L1MEN1KMT2A | |
| SCHEMBL17479950 | 0.68 | TSHR (0.53) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 | |
| SCHEMBL28436811 | 0.68 | HTR2A (0.36) | TSHRCYP2D6CYP2C19CYP3A4BCL2 | |
| SCHEMBL28389637 | 0.67 | TSHR (0.44) | TSHRCYP2D6CYP2C19CYP3A4PTPN1 | |
| SCHEMBL9514064 | 0.65 | CA2 (0.55) | TSHRBCL2BCL2L1ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |