Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 2/20 | 0.46 |
| ▸ | TYMS | P04818 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30856023 | 0.81 | TDP1 (0.50) | TDP1ERN1TYMSPTPN1CYP2A6 | |
| SCHEMBL21470208 | 0.79 | TYMS (0.37) | TDP1ERN1TYMSCYP2A6POLB | |
| SCHEMBL19960377 | 0.79 | TDP1 (0.40) | TDP1ERN1TYMSPTPN1CYP2A6 | |
| SCHEMBL4698273 | 0.78 | ALDH1A1 (0.53) | ERN1CYP2A6ALDH1A1HSD17B10MAPT | |
| SCHEMBL6820256 | 0.78 | TDP1 (0.46) | TDP1ERN1TYMSPTPN1CYP2A6 | |
| SCHEMBL4866312 | 0.77 | TDP1 (0.48) | TDP1ERN1TYMSPTPN1CYP2A6 | |
| SCHEMBL28973545 | 0.76 | ESR2 (0.39) | TDP1ALDH1A1 | |
| SCHEMBL9669203 | 0.76 | CYP2A6 (0.54) | TDP1ERN1PTPN1CYP2A6POLB | |
| SCHEMBL1110314 | 0.75 | CYP3A4 (0.45) | SMN1; SMN2LMNA | |
| SCHEMBL11812454 | 0.74 | HSD17B10 (0.52) | TDP1ERN1TYMSCYP2A6POLB |
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-110357789-B | N-substituted acrylamide derivative as DHODH inhibitor and preparation and application thereof | 华东理工大学 | 2022-09-30 | — | — | CN | disclosed |