Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28340574 | 0.88 | CDC7 (0.64) | CDC7KMT2APOLBIDO1CYP1A2 | |
| SCHEMBL4288995 | 0.75 | CDC7 (0.58) | CDC7KMT2AIDO1 | |
| SCHEMBL4286371 | 0.74 | CDC7 (1.00) | CDC7 | |
| SCHEMBL24570328 | 0.73 | RAB9A (0.53) | CDC7NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL24570374 | 0.71 | NPC1 (0.51) | CDC7KMT2ANPC1RAB9AL3MBTL1 | |
| SCHEMBL25269369 | 0.71 | MAPK14 (0.61) | CDC7KMT2APOLBTOP2AIDO1 | |
| SCHEMBL2898117 | 0.71 | IDO1 (0.65) | CDC7POLBIDO1ALDH1A1TSHR | |
| SCHEMBL3667857 | 0.70 | CDC7 (0.83) | CDC7 | |
| SCHEMBL21313236 | 0.69 | ALDH1A1 (0.51) | NPC1RAB9AL3MBTL1PDE10ACYP2D6 | |
| SCHEMBL6361740 | 0.69 | P2RX7 (0.65) | KMT2ANPC1RAB9AL3MBTL1CYP1A2 |
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-110590685-A | Preparation method and application of novel 5-thiocyanate substituted 1,4, 5-trisubstituted 1,2, 3-triazole | 大连理工大学 | 2019-12-20 | — | — | CN | disclosed |