Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8246548 | 0.93 | LMNA (0.33) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL2046468 | 0.84 | TSHR (0.33) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL733066 | 0.84 | TSHR (0.33) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL3513026 | 0.83 | TYR (0.37) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL6887447 | 0.82 | TSHR (0.34) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL12187972 | 0.82 | TSHR (0.33) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL4540426 | 0.80 | GRN (0.41) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL4525701 | 0.80 | TSHR (0.31) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL4600207 | 0.80 | TSHR (0.31) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL2896984 | 0.79 | TGM2 (0.42) | LMNACYP3A4 |
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-2007016441-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |