Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29104082 | 0.85 | AKR1C3 (0.41) | AKR1C3MAPTALDH1A1NPSR1GAA | |
| SCHEMBL28094591 | 0.84 | AKR1C3 (0.40) | AKR1C3MAPTALDH1A1NPSR1GAA | |
| SCHEMBL15009901 | 0.76 | CHRM4 (0.46) | CTSSCTSKCHRM4POLBAR | |
| SCHEMBL31111851 | 0.76 | AKR1C3 (0.43) | AKR1C3MAPTALDH1A1CTSSCTSK | |
| SCHEMBL16795056 | 0.76 | AKR1C3 (0.43) | AKR1C3MAPTALDH1A1CTSSCTSK | |
| SCHEMBL26612723 | 0.76 | KRAS (0.38) | MAPTALDH1A1NPSR1POLBKMT2A | |
| SCHEMBL26612717 | 0.76 | KRAS (0.38) | MAPTALDH1A1NPSR1POLBKMT2A | |
| SCHEMBL26612597 | 0.74 | KRAS (0.35) | MAPTALDH1A1NPSR1KMT2A | |
| SCHEMBL26612592 | 0.74 | KRAS (0.35) | MAPTALDH1A1NPSR1KMT2A | |
| SCHEMBL23044827 | 0.72 | — | — |
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-117003755-A | Pyrazolopyridazinone derivatives, compositions and uses thereof | 北京伯汇生物技术有限公司 | 2023-11-07 | — | — | CN | disclosed |