Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1449565 | 0.98 | TDP1 (0.70) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| Hydrochloric Acid SCHEMBL9114435 | 0.96 | TDP1 (0.68) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| Benzoic Acid SCHEMBL28667948 | 0.92 | TDP1 (0.63) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL11352210 | 0.91 | TDP1 (0.61) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| Trifluoroacetic Acid SCHEMBL28490953 | 0.88 | TDP1 (0.58) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL7902687 | 0.87 | TDP1 (0.61) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL14369808 | 0.87 | KDM4E (0.65) | TDP1LMNAMAPK1HIF1AALDH1A1 | |
| SCHEMBL7292310 | 0.86 | TDP1 (0.78) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL137486 | 0.85 | TDP1 (0.83) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL1410185 | 0.85 | TDP1 (0.81) | TDP1LMNAMAPK1HIF1ASLC6A2 |
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-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |