Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6464971 | 0.86 | TAS1R3 (0.42) | CYP2D6CYP2C19TAS1R3TAS1R1ADRA1A | |
| SCHEMBL28484191 | 0.85 | EPHX1 (0.40) | ADRA1AKDM4ESMN1; SMN2 | |
| SCHEMBL17112231 | 0.81 | CYP2D6 (0.33) | CYP2D6CYP2C19 | |
| SCHEMBL18063334 | 0.81 | CYP2D6 (0.33) | CYP2D6CYP2C19 | |
| SCHEMBL28866263 | 0.80 | CA2 (0.40) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL6717845 | 0.80 | TAS1R3 (0.50) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL25353358 | 0.80 | PAOX (0.37) | CYP2C19CA12CA1CA2MMP1 | |
| SCHEMBL28355266 | 0.80 | PLA2G2C (0.47) | — | |
| SCHEMBL30695896 | 0.79 | MEN1 (0.54) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL4233769 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115572231-B | Synthesis method of salt of bicyclo [1.1.1] pentane-1, 3-diamine | 浙江工业大学 | 2024-02-13 | — | — | CN | claimed |
| CN-115572231-A | Synthesis method of bicyclo [1.1.1] pentane-1, 3-diamine salt | 浙江工业大学 | 2023-01-06 | — | — | CN | claimed |
| CN-115572231-B | Synthesis method of salt of bicyclo [1.1.1] pentane-1, 3-diamine | 浙江工业大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-115572231-A | Synthesis method of bicyclo [1.1.1] pentane-1, 3-diamine salt | 浙江工业大学 | 2023-01-06 | — | — | CN | disclosed |