Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL9130879 | 0.94 | ALDH1A1 (0.39) | SIGMAR1TSHRMAPTALDH1A1POLB | |
| SCHEMBL7442500 | 0.87 | TRPA1 (0.34) | TSHRMAPTALDH1A1POLBGLA | |
| SCHEMBL7437251 | 0.83 | MEN1 (0.42) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL9131964 | 0.81 | ALDH1A1 (0.37) | ALDH1A1POLBGLAHPGDSLC6A2 | |
| SCHEMBL7437217 | 0.81 | TACR1 (0.39) | — | |
| SCHEMBL7445080 | 0.81 | ACE (0.38) | TSHRMAPTALDH1A1POLBGLA | |
| SCHEMBL7444364 | 0.78 | MAPT (0.40) | MAPTALDH1A1POLBGLAHPGD | |
| SCHEMBL9133683 | 0.77 | SIGMAR1 (0.42) | SIGMAR1POLB | |
| SCHEMBL7434130 | 0.75 | GABRA1 (0.41) | TSHRPOLBHPGDSLC6A2SLC6A4 | |
| SCHEMBL9132072 | 0.75 | ALDH1A1 (0.38) | SIGMAR1ALDH1A1POLBGLAHPGD |
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 4 patents. 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 |
| 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 |