Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6371584 | 0.77 | POLB (0.49) | ATRALDH1A1MAPK1LMNAKMT2A | |
| SCHEMBL17416879 | 0.72 | PKM (0.50) | ERN1FYNCA12CA1CA2 | |
| SCHEMBL19283132 | 0.69 | PKM (0.50) | ERN1FYNCA12CA1CA2 | |
| SCHEMBL19350459 | 0.68 | CCR6 (0.51) | ERN1ALDH1A1MAPK1LMNACYP1A2 | |
| SCHEMBL3586846 | 0.67 | ATR (0.57) | ATRMAPK1PLAUCYP3A4 | |
| SCHEMBL12767028 | 0.66 | ERN1 (1.00) | ERN1 | |
| SCHEMBL753212 | 0.66 | CA12 (0.44) | CA12CA1CA2CA3PKM | |
| Hydrochloric Acid SCHEMBL5583653 | 0.64 | CA12 (0.43) | CA12CA1CA2CA3PKM | |
| SCHEMBL6373026 | 0.64 | MAPK1 (0.40) | CA12CA1CA2CA3PKM | |
| SCHEMBL26685065 | 0.64 | PDGFRB (0.43) | ADORA2AADORA3ADORA2BPDGFRBADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005042524-A1 | PYRIDINE CARBOXAMIDE AND METHODS FOR INHIBITING HIV INTEGRASE | VIROCHEM PHARMA INC. (CA) | 2005-05-12 | — | — | WO | claimed |
| WO-2005042524-A1 | PYRIDINE CARBOXAMIDE AND METHODS FOR INHIBITING HIV INTEGRASE | VIROCHEM PHARMA INC. (CA) | 2005-05-12 | — | — | WO | disclosed |