Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409361 | 0.85 | TRPM8 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14306385 | 0.81 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8271703 | 0.81 | PLAU (0.45) | ALDH1A1CYP3A4ACHECHUKMEN1 | |
| SCHEMBL13729781 | 0.81 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13757322 | 0.81 | ACHE (0.41) | ALDH1A1CYP3A4ACHECHUKMEN1 | |
| SCHEMBL1536565 | 0.81 | DYRK1A (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24916397 | 0.79 | P2RX3 (0.42) | ALDH1A1CYP3A4ACHECHUKMEN1 | |
| SCHEMBL15178715 | 0.79 | ACHE (0.41) | ALDH1A1CYP3A4ACHECHUKMEN1 | |
| SCHEMBL26262829 | 0.78 | MAP4K1 (0.40) | CA1CA2ALDH1A1ACHECHUK | |
| SCHEMBL13757618 | 0.78 | KMT2A (0.45) | CYP3A4MEN1KMT2AMAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012173983-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-12-20 | — | — | WO | disclosed |
| EP-1505963-B9 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-1505963-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-04-20 | — | — | EP | disclosed |
| WO-2006000085-A1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-05 | — | — | WO | disclosed |