Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | PTPRA | P18433 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | FPR2 | P25090 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7301586 | 0.83 | POLB (0.60) | CYP2C9CYP2C19POLBALDH1A1KMT2A | |
| SCHEMBL7387341 | 0.83 | POLB (0.60) | CYP2C9CYP2C19POLBALDH1A1KMT2A | |
| SCHEMBL7438190 | 0.81 | POLB (0.41) | KEAP1NFE2L2CYP2C19POLBALDH1A1 | |
| SCHEMBL7310554 | 0.81 | RAB9A (0.55) | CYP2C9CYP2C19POLBADAMTS4MEN1 | |
| SCHEMBL7310548 | 0.81 | RAB9A (0.55) | CYP2C9CYP2C19POLBADAMTS4MEN1 | |
| SCHEMBL9830901 | 0.80 | POLB (0.59) | CYP2C9CYP2C19POLBALDH1A1MEN1 | |
| SCHEMBL5917035 | 0.80 | POLB (0.59) | CYP2C9CYP2C19POLBALDH1A1MEN1 | |
| SCHEMBL5917036 | 0.80 | POLB (0.59) | CYP2C9CYP2C19POLBALDH1A1MEN1 | |
| SCHEMBL16114864 | 0.80 | POLB (0.59) | CYP2C9CYP2C19POLBALDH1A1MEN1 | |
| SCHEMBL7393135 | 0.80 | CA2 (0.60) | KEAP1NFE2L2CYP2C9CYP2C19POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0665215-A1 | 1,4-Diamino-2,3-dihydroxybutanes | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-08-02 | — | — | EP | disclosed |
| US-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991018866-A2 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-12-12 | — | — | WO | disclosed |