Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL313726 | 0.83 | ALDH1A1 (0.40) | ARALDH1A1POLBTDP1L3MBTL1 | |
| SCHEMBL4204571 | 0.76 | ALDH1A1 (0.40) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL10538304 | 0.74 | KIF11 (0.34) | AR | |
| SCHEMBL717061 | 0.73 | ALDH1A1 (0.46) | CA2ALDH1A1TDP1 | |
| SCHEMBL5051929 | 0.73 | MEN1 (0.30) | POLB | |
| SCHEMBL28870 | 0.73 | HDAC8 (0.36) | ALDH1A1 | |
| SCHEMBL29549283 | 0.73 | HDAC8 (0.36) | ALDH1A1 | |
| SCHEMBL1117918 | 0.70 | KCNN4 (0.46) | CA1CA2CA5ACA9AR | |
| SCHEMBL30185685 | 0.70 | HDAC8 (0.35) | — | |
| SCHEMBL27884965 | 0.70 | ALDH1A1 (0.33) | CA2ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5256677-A | Enzyme inhibitor for treating acquired immune deficiency syndrome | ABBOTT LABORATORIES (US) | 1993-10-26 | — | — | US | disclosed |
| WO-1992017176-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1992-10-15 | — | — | WO | disclosed |
| US-5151438-A | Enzyme inhibitors for treatment of aids | ABBOTT LABORATORIES (US) | 1992-09-29 | — | — | US | disclosed |