Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PGD | P52209 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.30 |
| ▸ | LAP3 | P28838 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18007399 | 0.87 | PGD (0.37) | TSHRCYP2C9PDE4APGDTP53 | |
| SCHEMBL3979990 | 0.75 | PGD (0.42) | TSHRCYP2C9PGDTP53RNPEP | |
| SCHEMBL22688963 | 0.72 | TSHR (0.43) | TSHRCYP2C9PDE4APGDTP53 | |
| SCHEMBL29455702 | 0.72 | TSHR (0.43) | TSHRCYP2C9PDE4APGDTP53 | |
| SCHEMBL10146952 | 0.70 | TSHR (0.41) | TSHRCYP2C9PDE4ATP53ALDH1A1 | |
| SCHEMBL30800717 | 0.69 | TP53 (0.40) | TSHRCYP2C9PDE4ATP53ALDH1A1 | |
| SCHEMBL2953433 | 0.69 | TSHR (0.37) | TSHRPGDTP53ALDH1A1 | |
| SCHEMBL5902279 | 0.69 | TSHR (0.45) | TSHRCYP2C9PDE4APGDTP53 | |
| SCHEMBL4368789 | 0.69 | TSHR (0.38) | TSHRCYP2C9TP53ALDH1A1RNPEP | |
| SCHEMBL18039277 | 0.69 | MMP1 (0.45) | TSHRPGDTP53ALDH1A1RNPEP |
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-0828704-B1 | METHODS OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID | WARNER LAMBERT CO (US) | 2002-03-13 | — | — | EP | claimed |