Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 5/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | IDH2 | P48735 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28022377 | 0.85 | CA2 (0.40) | SMN1; SMN2KDM4EALDH1A1HPGDHTT | |
| SCHEMBL28160346 | 0.85 | PTGS2 (0.40) | SMN1; SMN2KDM4EALDH1A1HPGDHTT | |
| SCHEMBL28022982 | 0.80 | PTPN1 (0.41) | PTPN1SMN1; SMN2ALDH1A1HPGDENPP1 | |
| SCHEMBL28022393 | 0.79 | CYP2A6 (0.35) | PTPN1SMN1; SMN2ACLYPDK2IDH2 | |
| SCHEMBL28022356 | 0.75 | PDK2 (0.45) | PTPN1ALDH1A1ACLYPDK2TSHR | |
| SCHEMBL4659354 | 0.74 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1HPGDACLYTSHR | |
| SCHEMBL27707899 | 0.72 | ALDH1A1 (0.41) | SMN1; SMN2KDM4EALDH1A1HPGDPDK2 | |
| SCHEMBL28820867 | 0.70 | PTGS2 (0.38) | — | |
| SCHEMBL28159843 | 0.70 | PTGS2 (0.40) | HPGDHTTNPSR1ACLY | |
| SCHEMBL31457600 | 0.70 | PGAM1 (0.35) | PTPN1KDM4EALDH1A1NPSR1ACLY |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |