Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 12/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | UBE2M | P61081 | 1/20 | 0.31 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30452317 | 0.95 | HPGDS (0.36) | HPGDSPDE1BMCHR1UBE2MDCUN1D1 | |
| SCHEMBL30452676 | 0.95 | HPGDS (0.36) | HPGDSPDE1BMCHR1UBE2MDCUN1D1 | |
| SCHEMBL24263496 | 0.85 | HPGDS (0.46) | HPGDSPDE1BMCHR1CNR2KDM4E | |
| SCHEMBL24263260 | 0.85 | HPGDS (0.46) | HPGDSPDE1BMCHR1CNR2KDM4E | |
| SCHEMBL24263263 | 0.85 | HPGDS (0.46) | HPGDSPDE1BMCHR1CNR2KDM4E | |
| SCHEMBL30529672 | 0.83 | PDE1B (0.33) | PDE1BNR3C1 | |
| SCHEMBL30452720 | 0.82 | TYK2 (0.39) | PDE1BNR3C1CNR2 | |
| SCHEMBL16794701 | 0.80 | YAP1 (0.41) | HPGDSPDE1BMCHR1CNR2ALDH1A1 | |
| SCHEMBL16794653 | 0.80 | CNR2 (0.41) | MCHR1CNR2ALDH1A1POLB | |
| SCHEMBL29754326 | 0.79 | PTPN1 (0.38) | PDE1BNR3C1KDM4EALDH1A1SMN1; SMN2 |
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-115916207-A | Five-membered and six-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors | 轶诺(浙江)药业有限公司 | 2023-04-04 | — | — | CN | disclosed |