Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 6/20 | 0.38 |
| ▸ | RXRA | P19793 | 5/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | TLR1 | Q15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL8152190 | 0.97 | NR1H2 (0.37) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL5788553 | 0.84 | KLK7 (0.41) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL8163041 | 0.84 | KLK7 (0.41) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL8154049 | 0.81 | KLK7 (0.38) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL8152633 | 0.81 | KLK7 (0.38) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL6075001 | 0.73 | NR1H2 (0.43) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL5786819 | 0.73 | NR1H2 (0.43) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL5784791 | 0.73 | KLK7 (0.41) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL7909577 | 0.73 | NR1H2 (0.39) | NR1H2RXRANR1H3KLK7MEN1 | |
| SCHEMBL7919390 | 0.73 | NR1H2 (0.39) | NR1H2RXRANR1H3KLK7MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |
| US-6071927-A | Spiro-piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-06 | — | — | US | disclosed |