Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TACR1 | P25103 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CACNA1D | Q01668 | 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 | |
|---|---|---|---|---|
| SCHEMBL8939764 | 0.80 | HTR2A (0.39) | CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL27602767 | 0.79 | MAOB (0.42) | KDM4ESMN1; SMN2 | |
| SCHEMBL4280049 | 0.76 | MAPT (0.46) | L3MBTL1NPC1MAPTMAPK1TDP1 | |
| SCHEMBL27584915 | 0.75 | POLB (0.35) | CES1KDM4EPOLBALDH1A1NPC1 | |
| SCHEMBL7423138 | 0.72 | TSHR (0.47) | TSHRTACR1KDM4EPOLBCA1 | |
| SCHEMBL7425373 | 0.72 | TSHR (0.47) | TSHRTACR1KDM4EPOLBCA1 | |
| SCHEMBL7401991 | 0.71 | GABRA1 (0.40) | CACNA1C | |
| SCHEMBL17046318 | 0.71 | PDK2 (0.33) | — | |
| SCHEMBL27937767 | 0.71 | — | — | |
| SCHEMBL27899133 | 0.71 | PNMT (0.34) | IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001332-B | Piperidine derivatives | 豪夫迈·罗氏有限公司 | 2020-05-15 | — | — | CN | disclosed |