Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL16382184 | 0.79 | NAAA (0.56) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL13176832 | 0.79 | TSHR (0.50) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL12624782 | 0.79 | NAAA (0.56) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL13176716 | 0.79 | TSHR (0.50) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL7486715 | 0.79 | TSHR (0.50) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL9680030 | 0.77 | TSHR (0.53) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL30719589 | 0.77 | TSHR (0.53) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL7068463 | 0.77 | TSHR (0.48) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL7302165 | 0.77 | TSHR (0.48) | TSHRNAAAEPHX1CA12CA1 | |
| SCHEMBL28562239 | 0.77 | TSHR (0.53) | TSHRNAAAEPHX1CA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0200024-B1 | 3-CYANO-PYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE | ARZNEIMITTELWERK DRESDEN GmbH (DE) | 1992-07-01 | — | — | EP | claimed |