Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13241270 | 0.84 | MEN1 (0.58) | KMT2AMEN1AKR1C3CYP2C19TSHR | |
| SCHEMBL1905155 | 0.82 | MEN1 (0.47) | KMT2AMEN1AKR1C3CYP2C19TSHR | |
| SCHEMBL20853874 | 0.81 | AKR1C3 (0.58) | KMT2AMEN1AKR1C3TSHRNPC1 | |
| SCHEMBL28915528 | 0.81 | AKR1C3 (0.58) | KMT2AMEN1AKR1C3TSHRNPC1 | |
| Dehydrophenylalanine Methyl Ester SCHEMBL6947584 | 0.80 | MEN1 (0.49) | KMT2AMEN1AKR1C3MCL1TSHR | |
| Dehydrophenylalanine Methyl Ester SCHEMBL6947585 | 0.80 | MEN1 (0.49) | KMT2AMEN1AKR1C3MCL1TSHR | |
| SCHEMBL26080824 | 0.79 | MEN1 (0.53) | KMT2AMEN1AKR1C3CYP2C19TSHR | |
| Dehydrophenylalanine Methyl Ester SCHEMBL27965511 | 0.79 | MEN1 (0.47) | KMT2AMEN1AKR1C3MCL1TSHR | |
| SCHEMBL3227832 | 0.78 | MEN1 (0.51) | KMT2AMEN1AKR1C3MAPTHTT | |
| SCHEMBL2409609 | 0.78 | ABCG2 (0.47) | KMT2AMEN1AKR1C3TSHRALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794474-B | Evodiamine derivative with multi-target antitumor activity and preparation method and application thereof | 中国人民解放军第二军医大学 | 2022-03-18 | — | — | CN | claimed |
| CN-108794474-A | Rutaecarpin derivative and its preparation method and application with multiple target point antitumor activity | 中国人民解放军第二军医大学 | 2018-11-13 | — | — | CN | claimed |
| CN-108794474-A | Rutaecarpin derivative and its preparation method and application with multiple target point antitumor activity | 中国人民解放军第二军医大学 | 2018-11-13 | — | — | CN | disclosed |
| US-7229574-B2 | Method of making novel water-soluble and self-doped polyaniline graft copolymers | SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) | 2007-06-12 | — | — | US | disclosed |
| US-20060175580-A1 | Novel water-soluble and self-doped polyaniline graft copolymers | SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) | 2006-08-10 | — | — | US | disclosed |
| WO-2005068551-A1 | A EXFOLIATED NANO-COMPOSITE FROM POLYANILINE GRAFT COPOLYMER/CLAY | SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) | 2005-07-28 | — | — | WO | disclosed |