Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.53 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | CASP7 | P55210 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | BCL9 | O00512 | 4/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31723131 | 1.00 | ABCG2 (0.53) | ABCG2ABCB1ABCC1KDM4EMAPT | |
| SCHEMBL31723145 | 0.91 | ABCG2 (0.55) | ABCG2ABCB1ABCC1KDM4EMAPT | |
| SCHEMBL22284782 | 0.91 | ABCG2 (0.55) | ABCG2ABCB1ABCC1KDM4EMAPT | |
| SCHEMBL31723152 | 0.82 | MEN1 (0.72) | ABCG2ABCB1ABCC1KDM4EMAPT | |
| SCHEMBL28425332 | 0.82 | MEN1 (0.72) | ABCG2ABCB1ABCC1KDM4EMAPT | |
| SCHEMBL20918264 | 0.82 | KDM4E (0.56) | KDM4EMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL31723147 | 0.82 | KDM4E (0.56) | KDM4EMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL14266219 | 0.81 | ALDH1A1 (0.58) | ABCG2ABCB1ABCC1KDM4EMAPT | |
| SCHEMBL20918211 | 0.81 | MCL1 (0.46) | ABCG2KDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL31723134 | 0.81 | MCL1 (0.46) | ABCG2KDM4EMAPTALDH1A1MEN1 |
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-111315730-A | Composition for preventing or treating tumor necrosis factor-related diseases comprising novel derivative as active ingredient and method for inhibiting tumor necrosis factor activity using the same | 艾伊莱布 | 2020-06-19 | — | — | CN | claimed |
| CN-111315730-A | Composition for preventing or treating tumor necrosis factor-related diseases comprising novel derivative as active ingredient and method for inhibiting tumor necrosis factor activity using the same | 艾伊莱布 | 2020-06-19 | — | — | CN | disclosed |