Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7771649 | 0.90 | GABRA1 (0.43) | TSHRCA1CA2L3MBTL1LMNA | |
| SCHEMBL8750458 | 0.81 | GABRA1 (0.39) | TSHRCA1CA2L3MBTL1ALDH1A1 | |
| SCHEMBL19304116 | 0.79 | GABRA1 (0.39) | TSHRGLRA1TACR1POLB | |
| Di(Hydroxyethyl)Ether SCHEMBL11295445 | 0.79 | GABRA1 (0.40) | TSHRCA1CA2KMT2AALDH1A1 | |
| SCHEMBL17844252 | 0.78 | TSHR (0.43) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL9968895 | 0.76 | GABRA1 (0.41) | TSHRCA1CA2KMT2AL3MBTL1 | |
| SCHEMBL6546687 | 0.76 | L3MBTL1 (0.47) | L3MBTL1 | |
| SCHEMBL29041352 | 0.76 | TSHR (0.65) | TSHRCA1CA2CA7CA9 | |
| Hydrogen Peroxide SCHEMBL9347056 | 0.76 | GABRA1 (0.36) | TSHRCA1CA2KMT2AKDM4E | |
| Isopropyl Alcohol SCHEMBL29076646 | 0.76 | TSHR (0.71) | TSHRCA1CA2CA7CA9 |
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-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |