Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL364343 | 0.82 | BCAT2 (0.56) | BCAT2KEAP1NFE2L2KDM4EALDH1A1 | |
| SCHEMBL8517078 | 0.81 | BRD4 (0.41) | BCAT2ALOX15KEAP1NFE2L2KDM4E | |
| SCHEMBL8517076 | 0.81 | BCAT2 (0.44) | BCAT2ALOX15KEAP1NFE2L2KDM4E | |
| Hydrochloric Acid SCHEMBL27374126 | 0.81 | BCAT2 (0.54) | BCAT2KEAP1NFE2L2KDM4EALDH1A1 | |
| SCHEMBL3710380 | 0.80 | BCAT2 (0.42) | BCAT2ALOX15KEAP1NFE2L2KDM4E | |
| SCHEMBL15574026 | 0.79 | ALOX15 (0.39) | BCAT2ALOX15KEAP1NFE2L2KDM4E | |
| Hydrochloric Acid SCHEMBL18050031 | 0.77 | PARP1 (0.42) | KEAP1NFE2L2KDM4EALDH1A1MAPT | |
| SCHEMBL7719846 | 0.77 | BCAT2 (0.38) | BCAT2ALOX15CA1CA2CA9 | |
| SCHEMBL5171102 | 0.76 | BCAT2 (0.61) | BCAT2KEAP1NFE2L2PARP1 | |
| Hydrochloric Acid SCHEMBL18050033 | 0.76 | PARP1 (0.41) | BCAT2KEAP1NFE2L2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1098866-B1 | METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-02-11 | — | — | EP | claimed |
| EP-3423437-A1 | INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING | Propellon Therapeutics Inc. (CA) | 2019-01-09 | — | — | EP | disclosed |
| CN-104718188-A | N-substituted benzamides and their use in the treatment of pain | GENENTECH INC | 2015-06-17 | — | — | CN | disclosed |