Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.71 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | NOS2 | P35228 | 1/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 2/20 | 0.40 |
| ▸ | CPN1 | P15169 | 2/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27891040 | 0.98 | SLC6A1 (0.68) | SLC6A1TSHRSLC6A11SLC6A13LMNA | |
| SCHEMBL27643059 | 0.93 | SLC6A1 (0.61) | SLC6A1TSHRSLC6A11SLC6A13LMNA | |
| SCHEMBL28824479 | 0.84 | GABRA5 (0.52) | SLC6A1TSHRSLC6A11SLC6A13LMNA | |
| SCHEMBL28023799 | 0.84 | GABRA5 (0.52) | SLC6A1TSHRSLC6A11SLC6A13LMNA | |
| SCHEMBL2146157 | 0.84 | SLC6A1 (0.52) | SLC6A1TSHRSLC6A11SLC6A13LMNA | |
| SCHEMBL2146162 | 0.84 | SLC6A1 (0.52) | SLC6A1TSHRSLC6A11SLC6A13LMNA | |
| (R)-Nipecotic Acid SCHEMBL520075 | 0.83 | — | — | |
| (R)-Nipecotic Acid SCHEMBL29880539 | 0.83 | — | — | |
| (S)-Nipecotic Acid SCHEMBL254683 | 0.83 | — | — | |
| Nipecotic Acid SCHEMBL85677 | 0.83 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008140810-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-11-20 | — | — | WO | claimed |
| EP-1962846-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007059323-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-24 | — | — | WO | claimed |
| CN-105209436-B | 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists | 南洋理工大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-105209436-B | 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists | 南洋理工大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-105209436-B | 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists | 南洋理工大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-105693598-B | A kind of method that iridium catalytic hydrogenation synthesizes 3 derivative of piperidone | 中国科学院大连化学物理研究所 | 2017-12-19 | — | — | CN | disclosed |
| CN-102015683-A | Substituted indole derivatives | GRUENENTHAL GMBH | 2011-04-13 | — | — | CN | disclosed |
| WO-2008140810-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-11-20 | — | — | WO | disclosed |
| CN-1901910-A | Substituted piperidine compounds for the treatment of metabolic syndrome | ASTRAZENECA AB (SE) | 2007-01-24 | — | — | CN | disclosed |