Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 12/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8924252 | 0.94 | HDAC1 (0.52) | SLC29A1GRIN2BHDAC1CYP2D6CYP2C9 | |
| SCHEMBL8918450 | 0.83 | EPHX2 (0.56) | EPHX2 | |
| SCHEMBL8923780 | 0.82 | HDAC1 (0.52) | SLC29A1GRIN2BHDAC1CYP2D6CYP2C9 | |
| SCHEMBL9376237 | 0.79 | EPHX2 (0.48) | EPHX2 | |
| SCHEMBL2088315 | 0.76 | ACHE (0.52) | HDAC1TGM2 | |
| SCHEMBL8917544 | 0.76 | HDAC1 (0.49) | SLC29A1GRIN2BHDAC1CYP2D6CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL31505451 | 0.75 | MEN1 (0.54) | SLC29A1GRIN2BCYP2D6CYP2C9TGM2 | |
| Trifluoroacetic Acid SCHEMBL31505483 | 0.75 | MEN1 (0.57) | SLC29A1GRIN2BCYP2D6CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL27706408 | 0.75 | MEN1 (0.57) | SLC29A1GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL8921825 | 0.74 | HDAC1 (0.58) | SLC29A1GRIN2BHDAC1CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594702-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. | UPJOHN CO (US) | 1994-05-04 | — | — | EP | disclosed |
| EP-0507861-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. | UPJOHN CO (US) | 1992-10-14 | — | — | EP | disclosed |
| WO-1991009849-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | disclosed |