Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.40 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28895552 | 0.84 | CTSD (0.61) | CTSDGAAKDM4EMAPTHSD17B10 | |
| SCHEMBL23716794 | 0.82 | CTSD (0.63) | CTSDGAAPOLBKDM4EMAPT | |
| SCHEMBL4999364 | 0.82 | CTSD (0.39) | CTSDKCNK3KCNK9POLBKDM4E | |
| SCHEMBL382174 | 0.81 | GAA (0.50) | KCNK3KCNK9GAAPOLBGFER | |
| SCHEMBL28292159 | 0.81 | POLB (0.46) | KCNK3KCNK9GAAPOLBGFER | |
| SCHEMBL19818471 | 0.81 | TP53 (0.43) | KCNK3KCNK9POLBTP53KDM4E | |
| SCHEMBL17948554 | 0.80 | CYP3A4 (0.47) | KCNK3KCNK9GAAPOLBGFER | |
| SCHEMBL382778 | 0.80 | HPGD (0.55) | KCNK3KCNK9GAAPOLBGFER | |
| SCHEMBL28307124 | 0.79 | HMGCR (0.51) | KCNK3KCNK9GAAPOLBGFER | |
| SCHEMBL4999366 | 0.77 | KDM4E (0.45) | CTSDKCNK3KCNK9GAAPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106349241-B | Triazole derivative with HSP90 inhibitory activity and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-04-21 | — | — | CN | disclosed |
| CN-106349241-A | Triazole derivative having HSP90 (Heat Shock Protein) inhibiting activity, as well as preparation method and application of triazole derivative | 上海翰森生物医药科技有限公司 | 2017-01-25 | — | — | CN | disclosed |