Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 8/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.40 |
| ▸ | RXRA | P19793 | 6/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8156778 | 1.00 | HCRTR2 (0.40) | HCRTR2NR1H2NR1H3RXRAABCB1 | |
| SCHEMBL8156779 | 1.00 | HCRTR2 (0.40) | HCRTR2NR1H2NR1H3RXRAABCB1 | |
| SCHEMBL8148104 | 0.88 | ABCB1 (0.38) | HCRTR2NR1H2NR1H3RXRAABCB1 | |
| SCHEMBL8148106 | 0.88 | ABCB1 (0.38) | HCRTR2NR1H2NR1H3RXRAABCB1 | |
| SCHEMBL8148159 | 0.88 | ABCB1 (0.38) | HCRTR2NR1H2NR1H3RXRAABCB1 | |
| SCHEMBL8148102 | 0.88 | ABCB1 (0.38) | HCRTR2NR1H2NR1H3RXRAABCB1 | |
| SCHEMBL8147798 | 0.78 | NR1H2 (0.41) | HCRTR2NR1H2NR1H3RXRAABCB1 | |
| SCHEMBL8147938 | 0.78 | KLK7 (0.39) | HCRTR2NR1H2NR1H3RXRATACR1 | |
| SCHEMBL8147937 | 0.78 | KLK7 (0.39) | HCRTR2NR1H2NR1H3RXRATACR1 | |
| SCHEMBL8147935 | 0.78 | KLK7 (0.39) | HCRTR2NR1H2NR1H3RXRATACR1 |
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-6071927-A | Spiro-piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-06 | — | — | US | disclosed |