Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.61 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 3/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | CA3 | P07451 | 3/20 | 0.61 |
| ▸ | CA4 | P22748 | 3/20 | 0.61 |
| ▸ | CA6 | P23280 | 3/20 | 0.61 |
| ▸ | CA5A | P35218 | 3/20 | 0.61 |
| ▸ | CA7 | P43166 | 3/20 | 0.61 |
| ▸ | CA9 | Q16790 | 3/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.61 |
| ▸ | DPP4 | P27487 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.61 |
| ▸ | PKM | P14618 | 2/20 | 0.61 |
| ▸ | TYR | P14679 | 1/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9633755 | 1.00 | HCAR2 (0.61) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| SCHEMBL14081549 | 0.84 | HCAR2 (0.81) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| SCHEMBL713717 | 0.84 | HCAR2 (0.81) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| SCHEMBL68395 | 0.84 | HCAR2 (0.81) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| SCHEMBL9633774 | 0.82 | NPSR1 (0.61) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| SCHEMBL9633777 | 0.82 | NPSR1 (0.61) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| Hydrochloric Acid SCHEMBL8378608 | 0.82 | HCAR2 (0.77) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| SCHEMBL18662489 | 0.82 | HCAR2 (0.77) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| Hydrochloric Acid SCHEMBL11835203 | 0.82 | HCAR2 (0.77) | HCAR2AKR1B10AKR1B1CA12CA1 | |
| SCHEMBL3458123 | 0.79 | ESR1 (0.61) | HCAR2AKR1B10AKR1B1CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0513761-A2 | Bisphosphonate squalene synthetase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1992-11-19 | — | — | EP | disclosed |
| US-5157027-A | Anticholesterol agents | E. R. SQUIBB & SONS, INC. (US) | 1992-10-20 | — | — | US | disclosed |