Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9133260 | 0.82 | NQO1 (0.56) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL6194308 | 0.81 | NQO1 (0.54) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL28225200 | 0.80 | ALDH1A1 (0.59) | TSHRLTA4HSMN1; SMN2ALDH1A1 | |
| SCHEMBL7340996 | 0.78 | NQO1 (0.50) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL9253733 | 0.78 | NQO1 (0.61) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL2559226 | 0.78 | NQO1 (0.61) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL9476347 | 0.77 | NQO1 (0.48) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL9476334 | 0.77 | NQO1 (0.48) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL28270126 | 0.76 | NQO1 (0.58) | NQO1TSHRTDP1RELAPRSS1 | |
| SCHEMBL27906425 | 0.76 | NQO1 (0.58) | NQO1TSHRTDP1RELAPRSS1 |
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-108101826-B | Indole-substituted alkylamine compound and application thereof | 华东理工大学 | 2022-05-10 | — | — | CN | disclosed |