Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28228154 | 0.90 | POLB (0.63) | POLBCA12CA1CA2CA9 | |
| SCHEMBL156297 | 0.90 | CA12 (0.62) | POLBCA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL7026708 | 0.88 | CA12 (0.60) | POLBCA12CA1CA2CA9 | |
| Water SCHEMBL30097036 | 0.88 | CA12 (0.60) | POLBCA12CA1CA2CA9 | |
| Hydrazine SCHEMBL28937719 | 0.86 | CA12 (0.58) | POLBCA12CA1CA2CA9 | |
| SCHEMBL10670924 | 0.85 | ALDH1A1 (0.61) | POLBCA12CA1CA2CA9 | |
| Alcohol SCHEMBL28648245 | 0.83 | CA12 (0.55) | POLBCA12CA1CA2CA9 | |
| SCHEMBL28120162 | 0.82 | CA12 (0.54) | POLBCA12CA1CA2CA9 | |
| Quinoline SCHEMBL27829993 | 0.80 | POLB (0.48) | POLBCA12CA1CA2CA9 | |
| SCHEMBL6655090 | 0.77 | NPC1 (0.51) | POLBCA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104837844-A | Pyrazole substituted imidazopiperazines as casein kinase 1D/E inhibitors | BRISTOL MYERS SQUIBB CO | 2015-08-12 | — | — | CN | disclosed |