Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 2/20 | 0.33 |
| ▸ | TACR3 | P29371 | 2/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17749482 | 0.64 | HDAC1 (0.50) | TACR3HPGDSALDH1A1HDAC1HDAC8 | |
| Bicarbonate SCHEMBL4267974 | 0.58 | BID (0.58) | HTR1AKDM4ETSHRHSD17B10 | |
| SCHEMBL6833434 | 0.58 | CA12 (0.50) | ALDH1A1LMNAHPGDTSHRHSD17B10 | |
| Acetic Acid SCHEMBL9815548 | 0.57 | BID (0.57) | HTR1AKDM4ETSHRHSD17B10 | |
| SCHEMBL9777892 | 0.57 | HTR1A (0.75) | HTR1ATSHRHTT | |
| SCHEMBL10964245 | 0.57 | HTR1A (0.75) | HTR1ATSHRHTT | |
| Benzene SCHEMBL9052791 | 0.56 | HTR1A (0.58) | HTR1ATSHRHTT | |
| Bicarbonate SCHEMBL9175297 | 0.56 | BID (0.69) | KDM4ETSHRHSD17B10HTT | |
| Bicarbonate SCHEMBL4863706 | 0.56 | BID (0.69) | KDM4ETSHRHSD17B10HTT | |
| SCHEMBL16333188 | 0.56 | HTR1A (0.54) | HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |