Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27214502 | 0.83 | CA12 (0.42) | CA12CA1CA2CA9ATR | |
| SCHEMBL22987101 | 0.82 | HPGD (0.50) | HSD17B10MEN1NPC1HTTRAB9A | |
| SCHEMBL29840249 | 0.82 | AAK1 (0.46) | CA12CA1CA2CA9ATR | |
| SCHEMBL22987099 | 0.79 | HTT (0.41) | CA12CA1CA2CA9ATR | |
| SCHEMBL6250449 | 0.79 | SMN1; SMN2 (0.43) | ATRTSHRHSD17B10MEN1NPC1 | |
| SCHEMBL13247607 | 0.79 | CA12 (0.43) | CA12CA1CA2CA9LCK | |
| SCHEMBL31497650 | 0.77 | ATR (0.54) | CA12CA1CA2CA9ATR | |
| SCHEMBL20158012 | 0.77 | PPARG (0.40) | NPC1RAB9AKMT2AHSP90AA1HSP90AB1 | |
| SCHEMBL20157982 | 0.76 | LCK (0.39) | LCKNPC1HTTRAB9ARXFP1 | |
| SCHEMBL458679 | 0.75 | AAK1 (0.46) | ATRNPC1RAB9AHSP90AA1HSP90AB1 |
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-104470925-B | Imidazo-triazine formonitrile HCN as kinase inhibitor | 百时美施贵宝公司 | 2017-12-05 | — | — | CN | disclosed |