Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ANPEP | P15144 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | FNTA | P49354 | 3/20 | 0.49 |
| ▸ | FNTB | P49356 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8306505 | 1.00 | OPRK1 (0.58) | OPRK1HTTTSHRCYP3A4CYP2C19 | |
| SCHEMBL8307524 | 0.89 | FNTA (0.58) | ANPEPFNTAFNTB | |
| SCHEMBL8307525 | 0.89 | FNTA (0.58) | ANPEPFNTAFNTB | |
| SCHEMBL2328031 | 0.85 | L3MBTL1 (0.56) | HTTTSHRCYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL2328029 | 0.85 | L3MBTL1 (0.56) | HTTTSHRCYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL12329485 | 0.83 | OPRK1 (0.71) | OPRK1CYP3A4CYP2C19L3MBTL1POLB | |
| SCHEMBL8304651 | 0.82 | FNTA (0.53) | OPRK1HTTCYP3A4CYP2C19FNTA | |
| SCHEMBL8304649 | 0.82 | FNTA (0.53) | OPRK1HTTCYP3A4CYP2C19FNTA | |
| SCHEMBL3649406 | 0.82 | HTT (0.55) | HTTTSHRCYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL3649405 | 0.82 | HTT (0.55) | HTTTSHRCYP3A4CYP2C19L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952842-A2 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-11-03 | — | — | EP | disclosed |
| WO-1997038664-A2 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-23 | — | — | WO | disclosed |