Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 2/20 | 0.35 |
| ▸ | CDC25B | P30305 | 3/20 | 0.32 |
| ▸ | S100A4 | P26447 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1133597 | 0.98 | TDP1 (0.37) | TDP1TDP2NSD2ABL1PLCG1 | |
| SCHEMBL260818 | 0.80 | TDP1 (0.37) | TDP1TDP2NSD2ABL1PLCG1 | |
| Hydrochloric Acid SCHEMBL26638317 | 0.78 | TDP1 (0.35) | TDP1TDP2NSD2ABL1PLCG1 | |
| SCHEMBL27748770 | 0.71 | KDM4E (0.31) | TDP1KDM4EMAPTGMNNLMNA | |
| SCHEMBL4646997 | 0.71 | HTT (0.34) | TDP1KDM4EMAPTGMNNLMNA | |
| SCHEMBL31050548 | 0.71 | KDM4E (0.31) | TDP1KDM4EMAPTGMNNLMNA | |
| SCHEMBL9541161 | 0.71 | KDM4E (0.31) | TDP1KDM4EMAPTGMNNLMNA | |
| O-Xylene SCHEMBL3380141 | 0.71 | NOS3 (0.38) | MEN1KMT2AGAAKDM4ETSHR | |
| SCHEMBL317892 | 0.70 | MAPT (0.40) | TDP1TDP2PLCG1CES1MEN1 | |
| SCHEMBL31409719 | 0.70 | ALDH1A1 (0.39) | TDP1MEN1THRBBLMKMT2A |
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-110914268-B | [1,2,4] triazolo [4,3-a ] pyrazin-6 (5H) -one derivatives | 伊莱利利公司 | 2022-04-19 | — | — | CN | disclosed |