Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.55 |
| ▸ | ERN1 | O75460 | 6/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | CDC25B | P30305 | 3/20 | 0.45 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.43 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.43 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3268303 | 1.00 | NQO2 (0.55) | NQO2ERN1ESR1ESR2MEN1 | |
| SCHEMBL30074753 | 0.82 | ERN1 (0.47) | NQO2ERN1ESR1ESR2MEN1 | |
| Formamide SCHEMBL9732527 | 0.80 | NQO2 (0.47) | NQO2ERN1ESR1ESR2MEN1 | |
| SCHEMBL1506780 | 0.80 | NQO2 (0.55) | NQO2ERN1ESR1ESR2MEN1 | |
| SCHEMBL29956684 | 0.78 | ERN1 (0.44) | NQO2ERN1ESR1ESR2MEN1 | |
| SCHEMBL3067367 | 0.78 | ERN1 (0.44) | NQO2ERN1ESR1ESR2MEN1 | |
| SCHEMBL9732522 | 0.78 | EGFR (0.55) | NQO2ERN1ESR1ESR2MEN1 | |
| SCHEMBL3676494 | 0.78 | ERN1 (0.45) | ERN1ESR1ESR2MEN1KMT2A | |
| SCHEMBL31141573 | 0.78 | ERN1 (0.45) | ERN1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL29953557 | 0.78 | ERN1 (0.45) | ERN1ESR1ESR2MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118731194-A | Detection method of alkyl diamine | 四川科伦药物研究院有限公司 | 2024-10-01 | — | — | CN | claimed |
| CN-118731194-A | Detection method of alkyl diamine | 四川科伦药物研究院有限公司 | 2024-10-01 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |