Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2309072 | 0.83 | SMN1; SMN2 (0.40) | POLBSMN1; SMN2ALDH1A1HTR6 | |
| SCHEMBL10007199 | 0.79 | DDX3X (0.43) | POLBRAB9ASMN1; SMN2PKMALDH1A1 | |
| SCHEMBL13091960 | 0.78 | HTR6 (0.47) | POLBCA12CA1CA2CA9 | |
| SCHEMBL1172813 | 0.77 | CA12 (0.44) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL2651077 | 0.74 | G6PD (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1172197 | 0.74 | L3MBTL1 (0.46) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL1667366 | 0.74 | KMT2A (0.50) | POLBNPC1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL2177704 | 0.74 | ALDH1A1 (0.58) | POLBCA12CA1CA2CA9 | |
| SCHEMBL2309336 | 0.73 | LCK (0.48) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL1485945 | 0.72 | ALDH1A1 (0.50) | 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-102245609-B | Can be used as the Imidazopyridazine formonitrile HCN of kinase inhibitor | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-09 | — | — | CN | disclosed |