Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28810999 | 0.85 | NPC1 (0.48) | KRASNPC1RAB9APOLBHTR6 | |
| SCHEMBL29754156 | 0.82 | HTR6 (0.46) | KRASNPC1RXFP1HTR6USP30 | |
| SCHEMBL1846302 | 0.82 | HTR6 (0.46) | KRASNPC1RXFP1HTR6USP30 | |
| SCHEMBL18555717 | 0.81 | HTR6 (0.45) | KRASBACE1HTR6USP30CCNB2 | |
| SCHEMBL15059343 | 0.81 | KRAS (0.48) | KRASBACE1HTR6USP30CCNB2 | |
| SCHEMBL18546446 | 0.80 | HTR6 (0.44) | KRASRXFP1HTR6USP30CCNB2 | |
| SCHEMBL8091551 | 0.79 | KMT2A (0.51) | KRASTHRBHTR6LMNA | |
| SCHEMBL30233593 | 0.79 | KMT2A (0.51) | KRASTHRBHTR6LMNA | |
| SCHEMBL25337902 | 0.79 | BACE1 (0.50) | KRASBACE1HTR6LMNA | |
| SCHEMBL29506997 | 0.79 | BACE1 (0.50) | KRASBACE1HTR6LMNA |
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-114867718-A | Novel indazole derivative and use thereof | 韩国化学研究院 | 2022-08-05 | — | — | CN | disclosed |