Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25275872 | 1.00 | CFTR (0.47) | CFTRPDK2NR1H2P2RX7TTK | |
| SCHEMBL15519766 | 0.86 | CFTR (0.48) | CFTRPDK2NR1H2P2RX7TTK | |
| SCHEMBL29575643 | 0.78 | PDK2 (0.50) | PDK2NR1H2P2RX7HDAC4HDAC1 | |
| SCHEMBL16836088 | 0.76 | MTOR (0.47) | PDK2P2RX7HDAC4HDAC1HDAC6 | |
| SCHEMBL28886725 | 0.75 | PDK2 (0.47) | PDK2NR1H2P2RX7TTKPIK3CD | |
| SCHEMBL10095054 | 0.74 | PDK2 (0.48) | PDK2NR1H2P2RX7 | |
| SCHEMBL19611104 | 0.74 | P2RX7 (0.46) | PDK2P2RX7HDAC4HDAC1HDAC6 | |
| SCHEMBL23549881 | 0.74 | P2RX7 (0.44) | PDK2NR1H2P2RX7HDAC4HDAC1 | |
| SCHEMBL28887447 | 0.74 | NR1H2 (0.49) | PDK2NR1H2ALDH1A1CKS1BSKP1 | |
| SCHEMBL18149094 | 0.73 | PDK2 (0.42) | PDK2NR1H2P2RX7HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4448500-A1 | BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS | Bristol-Myers Squibb Company (US) | 2024-10-23 | — | — | EP | disclosed |
| CN-118401502-A | Benzothiazole, benzisoxazole and benzodioxole analogs as RXFP1 receptor agonists | 百时美施贵宝公司 | 2024-07-26 | — | — | CN | disclosed |
| WO-2023114822-A1 | BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-06-22 | — | — | WO | disclosed |