Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14841950 | 0.98 | ALDH1A1 (0.39) | SPRALDH1A1HTTNPSR1HTR1A | |
| SCHEMBL28095772 | 0.89 | KCNQ2 (0.38) | SPRALDH1A1HTTNPSR1HTR1A | |
| SCHEMBL31555255 | 0.82 | AVPR1A (0.35) | SPRALDH1A1HTTNPSR1HTR1A | |
| SCHEMBL24159383 | 0.81 | KCNQ2 (0.38) | SPRALDH1A1PARP1KCNQ2HDAC6 | |
| SCHEMBL9124207 | 0.81 | NOTUM (0.50) | SPRALDH1A1PARP1KCNQ2HDAC6 | |
| SCHEMBL15998893 | 0.77 | BLM (0.47) | SPRALDH1A1PARP1KCNQ2HDAC6 | |
| SCHEMBL9121077 | 0.77 | GRM5 (0.51) | ALDH1A1HDAC6AVPR2AVPR1A | |
| SCHEMBL14248999 | 0.77 | RIPK1 (0.48) | SPRALDH1A1KCNQ2HDAC6HDAC3 | |
| SCHEMBL14911074 | 0.70 | ALDH1A1 (0.33) | ALDH1A1HTTNPSR1HTR1AHTR2A | |
| SCHEMBL29215763 | 0.69 | NAMPT (0.47) | SPRALDH1A1HTTNPSR1HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104245702-B | New type nerve kassinin kinin 1 receptor agonist compounds | 利奥制药有限公司 | 2016-09-14 | — | — | CN | claimed |
| CN-104245702-B | New type nerve kassinin kinin 1 receptor agonist compounds | 利奥制药有限公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-104245702-A | Novel neurokinin 1 receptor antagonist compounds | LEO PHARMA AS | 2014-12-24 | — | — | CN | disclosed |