Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8456922 | 0.85 | HTT (0.47) | HTTL3MBTL1POLBNPSR1TSHR | |
| SCHEMBL8148897 | 0.85 | HTT (0.47) | HTTL3MBTL1POLBNPSR1TSHR | |
| SCHEMBL27532584 | 0.74 | MAOB (0.50) | TACR1HTR1A | |
| SCHEMBL28570761 | 0.74 | POLB (0.50) | HTTL3MBTL1POLBNPSR1TSHR | |
| SCHEMBL28570763 | 0.74 | POLB (0.50) | HTTL3MBTL1POLBNPSR1TSHR | |
| SCHEMBL10463016 | 0.71 | TSHR (0.56) | HTTTSHRCA1CA2CA7 | |
| SCHEMBL7129504 | 0.69 | SGMS2 (0.58) | L3MBTL1ALDH1A1KDM4ESGMS2TDP1 | |
| SCHEMBL2963542 | 0.69 | TSHR (0.48) | HTTTSHRCA1CA2CA7 | |
| SCHEMBL2963549 | 0.69 | TSHR (0.48) | HTTTSHRCA1CA2CA7 | |
| SCHEMBL5653055 | 0.69 | CA1 (0.46) | HTTL3MBTL1POLBNPSR1CA1 |
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 |