Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5774668 | 1.00 | MEN1 (0.43) | MEN1KMT2AMAPTTAAR1NOTUM | |
| SCHEMBL16268475 | 0.88 | MEN1 (0.43) | MEN1KMT2AMAPTTAAR1NOTUM | |
| SCHEMBL26923080 | 0.86 | HSP90AA1 (0.40) | MEN1KMT2AMAPTTAAR1NOTUM | |
| SCHEMBL28245906 | 0.84 | MAPT (0.43) | MEN1KMT2AMAPTTAAR1NOTUM | |
| SCHEMBL22981183 | 0.82 | KCNJ1 (0.37) | MEN1KMT2AMAPTTAAR1NOTUM | |
| SCHEMBL22319887 | 0.82 | ABHD6 (0.41) | MEN1KMT2AMAPTTAAR1NOTUM | |
| SCHEMBL28931023 | 0.81 | NOTUM (0.36) | MEN1KMT2AMAPTTAAR1NOTUM | |
| SCHEMBL29554774 | 0.80 | ESR2 (0.52) | MAPTABHD6KDM4E | |
| SCHEMBL5880442 | 0.80 | ESR2 (0.52) | MAPTABHD6KDM4E | |
| SCHEMBL2804587 | 0.80 | AKR1C3 (0.50) | MEN1KMT2AMAPTTAAR1NOTUM |
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-118930552-A | Isobenzofuran-1 (3H) -one compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-11-12 | — | — | CN | disclosed |