Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | GMNN | O75496 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | ANPEP | P15144 | 5/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | LAP3 | P28838 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9767481 | 1.00 | TSHR (0.61) | TSHRCYP3A4CYP2D6NFKB1THPO | |
| SCHEMBL11195958 | 0.76 | — | — | |
| SCHEMBL974642 | 0.76 | TSHR (1.00) | TSHRCYP3A4CYP2D6NFKB1THPO | |
| SCHEMBL19165680 | 0.76 | — | — | |
| SCHEMBL15980655 | 0.76 | — | — | |
| SCHEMBL10167937 | 0.74 | — | — | |
| SCHEMBL19161066 | 0.73 | — | — | |
| SCHEMBL2625063 | 0.73 | — | — | |
| SCHEMBL2161244 | 0.73 | — | — | |
| SCHEMBL7305893 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5019647-A | Antigrowth and anticarconogenic hexapeptide | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |