Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30737599 | 0.83 | HPGD (0.61) | SMN1; SMN2USP2TSHRALDH1A1HPGD | |
| SCHEMBL30737654 | 0.83 | HPGD (0.56) | SMN1; SMN2TSHRALDH1A1HPGDCA12 | |
| SCHEMBL30737498 | 0.82 | HPGD (0.65) | USP2TSHRALDH1A1HPGDCA12 | |
| SCHEMBL30737566 | 0.77 | CECR2 (0.41) | TSHRALDH1A1HPGDPOLBGPR183 | |
| SCHEMBL9928309 | 0.75 | HPGD (0.61) | USP2ALDH1A1HPGDPOLBMAPK1 | |
| SCHEMBL395103 | 0.74 | GSK3B (0.48) | SMN1; SMN2ALDH1A1HPGDCYP3A4POLB | |
| SCHEMBL30737553 | 0.73 | GAA (0.39) | TSHRALDH1A1HPGDCYP2D6CYP3A4 | |
| SCHEMBL12424412 | 0.73 | KDM4E (0.45) | ALDH1A1 | |
| SCHEMBL16151541 | 0.71 | GPR183 (0.63) | ACACBGRM3POLBGPR183 | |
| SCHEMBL14297349 | 0.69 | PKM (0.61) | GABRDGABRA1GABRB1GABRA5GABRA3 |
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-117510505-A | Pyrimidopyrazoles derivatives and their use in medicine | 中国药科大学 | 2024-02-06 | — | — | CN | disclosed |