Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9788605 | 0.77 | MEN1 (0.34) | MEN1KMT2AKDM4ENPC1CA12 | |
| SCHEMBL29586709 | 0.77 | MEN1 (0.34) | MEN1KMT2AKDM4ENPC1CA12 | |
| SCHEMBL4654322 | 0.77 | MEN1 (0.34) | MEN1KMT2AKDM4ENPC1CA12 | |
| SCHEMBL2030500 | 0.77 | — | — | |
| SCHEMBL28672299 | 0.76 | MEN1 (0.30) | MEN1KMT2AKDM4ENPC1CA12 | |
| SCHEMBL7553960 | 0.73 | — | — | |
| SCHEMBL9253524 | 0.72 | THRB (0.36) | MEN1KMT2AKDM4ECA12ALDH1A1 | |
| SCHEMBL28374793 | 0.72 | CA1 (0.32) | CA2 | |
| SCHEMBL29148246 | 0.70 | CTSB (0.32) | MEN1KMT2AMAPT | |
| SCHEMBL30777406 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110619925-B | Method for directly predicting biological effectiveness of organic pollutants | 大连理工大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-110619925-A | Method for directly predicting biological effectiveness of organic pollutants | 大连理工大学 | 2019-12-27 | — | — | CN | disclosed |