Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24427421 | 0.84 | HRH3 (0.43) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL12890775 | 0.83 | TSHR (0.56) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL22649551 | 0.78 | TYR (0.41) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL13127979 | 0.78 | TSHR (0.41) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL68958 | 0.77 | TSHR (0.43) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL13035444 | 0.77 | SMN1; SMN2 (0.44) | LMNASMN1; SMN2GAAL3MBTL1HTT | |
| SCHEMBL13921054 | 0.77 | CTSK (0.47) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL13921045 | 0.77 | CTSK (0.47) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL24568601 | 0.76 | TSHR (0.39) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL13195188 | 0.75 | L3MBTL1 (0.36) | TSHRLMNACYP3A4NFKB1ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |