Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL827802 | 0.79 | HTR1B (0.55) | PDK2HTR1BALDH1A1HPGDKDM4E | |
| SCHEMBL9130521 | 0.77 | PDK2 (0.54) | PDK2ALDH1A1HPGDTSHRGAA | |
| SCHEMBL23234372 | 0.76 | MRGPRX4 (0.48) | HTR1BALDH1A1HPGDTSHR | |
| SCHEMBL25477867 | 0.74 | HTR1B (0.50) | HTR1BKDM4E | |
| SCHEMBL30427249 | 0.74 | CTNNB1 (0.56) | HTR1BALDH1A1HPGDL3MBTL1NPC1 | |
| SCHEMBL827672 | 0.74 | CTNNB1 (0.56) | HTR1BALDH1A1HPGDL3MBTL1NPC1 | |
| SCHEMBL30427164 | 0.73 | HTR1B (0.55) | HTR1BALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL14135299 | 0.73 | HTR1B (0.55) | HTR1BALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL14233766 | 0.71 | ALDH1A1 (0.52) | PDK2ALDH1A1HPGDTSHRGAA | |
| SCHEMBL24111798 | 0.71 | HTR1B (0.64) | HTR1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019026014-A1 | PROCESSES FOR PREPARATION OF LIFITEGRAST AND INTERMEDIATES THEREOF | DR. REDDY'S LABORATORIES LIMITED (IN) | 2019-02-07 | — | — | WO | disclosed |