Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL20138722 | 0.85 | TSHR (0.48) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL18204065 | 0.84 | CES2 (0.46) | CES2CES1CA1CA2KDM4E | |
| SCHEMBL1608946 | 0.80 | CES1 (0.48) | CES2CES1CA1CA2KDM4E | |
| SCHEMBL2426123 | 0.79 | CES2 (0.55) | CES2CES1NPC1RAB9AHPGD | |
| Hydrochloric Acid SCHEMBL27459744 | 0.78 | CES1 (0.46) | CES2CES1CA1CA2KDM4E | |
| Water SCHEMBL28310706 | 0.78 | CES1 (0.46) | CES2CES1CA1CA2KDM4E | |
| SCHEMBL6935376 | 0.77 | CES2 (0.49) | CES2CES1CA1CA2KDM4E | |
| P-Anisic Acid SCHEMBL11778598 | 0.77 | CA1 (0.69) | CES2CES1CA1CA2KDM4E | |
| SCHEMBL28641587 | 0.77 | SMN1; SMN2 (0.52) | KDM4ENPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL17414861 | 0.75 | SRD5A2 (0.50) | NPC1RAB9AALDH1A1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-119192215-A | Suzuki coupling method of B (9, 10) o-dibromo-substituted m-carborane and application thereof | 华东理工大学 | 2024-12-27 | — | — | CN | claimed |
| CN-119192215-A | Suzuki coupling method of B (9, 10) o-dibromo-substituted m-carborane and application thereof | 华东理工大学 | 2024-12-27 | — | — | CN | disclosed |
| CN-110799193-B | Copper and nickel catalyzed decarboxylation borylation | 斯克利普斯研究院 | 2023-12-12 | — | — | CN | disclosed |