Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3773661 | 0.85 | AGTR2 (0.50) | AGTR2ALDH1A1LMNACA1CA2 | |
| SCHEMBL23529285 | 0.77 | HTR1A (0.39) | AGTR2CHRM4 | |
| SCHEMBL21996912 | 0.76 | S1PR5 (0.40) | AGTR2S1PR4S1PR1 | |
| SCHEMBL23529288 | 0.76 | TP53 (0.54) | ALDH1A1LMNANPC1MITFS1PR4 | |
| SCHEMBL5386962 | 0.76 | DRD2 (0.41) | ROCK2ROCK1CCR2AGTR2ALDH1A1 | |
| SCHEMBL25317215 | 0.75 | LMNA (0.46) | AGTR2ALDH1A1LMNAS1PR4S1PR1 | |
| SCHEMBL21997577 | 0.75 | CA2 (0.42) | AGTR2ALDH1A1S1PR4S1PR1CA1 | |
| SCHEMBL2326600 | 0.74 | HRH3 (0.45) | ROCK2HTT | |
| SCHEMBL14033566 | 0.74 | AGTR2 (0.46) | AGTR2ALDH1A1LMNAMAPTHTT | |
| SCHEMBL23535934 | 0.74 | NPBWR1 (0.44) | ALDH1A1HTTMCHR1 |
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-2021127273-A1 | 1 -((6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL)METHYL)PIPERAZINE AND 1 -((6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL)METHYL)PIPERAZINE DERIVATIVES AS PROLYL HYDROXYLASE, HIF-1 ALPHA AND PGK MODULATORS FOR USE IN TREATING INFLAMMATORY DISEASES, CANCER OR INFECTIONS | GB004, INC. (US) | 2021-06-24 | — | — | WO | disclosed |