Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL27524114 | 0.84 | KDM4E (0.65) | KDM4EMEN1KMT2ARAB9ANPC1 | |
| Trifluoroacetic Acid SCHEMBL27899534 | 0.83 | KDM4E (0.54) | KDM4EMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL49308 | 0.82 | KEAP1 (0.61) | KDM4ERAB9ANPC1CYP3A4CYP1A2 | |
| Iodide SCHEMBL19990734 | 0.80 | KEAP1 (0.59) | KDM4ERAB9ANPC1CYP3A4CYP1A2 | |
| Bromide SCHEMBL22401520 | 0.80 | KEAP1 (0.59) | KDM4ERAB9ANPC1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL3211155 | 0.80 | KEAP1 (0.59) | KDM4ERAB9ANPC1CYP3A4CYP1A2 | |
| SCHEMBL27759423 | 0.80 | KEAP1 (0.59) | KDM4ERAB9ANPC1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL31243299 | 0.80 | KEAP1 (0.59) | KDM4ERAB9ANPC1CYP3A4CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL9173305 | 0.80 | KEAP1 (0.59) | KDM4ERAB9ANPC1CYP3A4CYP1A2 | |
| Formic Acid SCHEMBL29236421 | 0.79 | KEAP1 (0.55) | KDM4EMEN1KMT2ARAB9ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422749-B | Pyrimidinedione derivative for inhibiting monocarboxylic acid transporter | 重庆医药工业研究院有限责任公司 | 2023-01-24 | — | — | CN | disclosed |