Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL171743 | 0.82 | MAOA (0.46) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL11150870 | 0.81 | ALDH1A1 (0.58) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL8799381 | 0.79 | XDH (0.48) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL9034189 | 0.77 | AR (0.43) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL24680031 | 0.77 | XDH (0.44) | ALDH1A1ARTSHRXDHBCHE | |
| SCHEMBL19954833 | 0.76 | XDH (0.44) | XDHACHE | |
| SCHEMBL8799276 | 0.76 | NOS2 (0.43) | ALDH1A1KDM4EUSP2MAOAMAOB | |
| SCHEMBL23791164 | 0.75 | AR (0.40) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL17639918 | 0.75 | ALDH1A1 (0.46) | ALDH1A1ARXDHHTT | |
| SCHEMBL9034950 | 0.75 | NPC1 (0.51) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0482771-B1 | Heterocyclic acids | ZENECA LTD (GB) | 1997-06-18 | — | — | EP | disclosed |
| US-5410064-A | Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-04-25 | — | — | US | disclosed |
| US-5219874-A | Heterocyclic acids | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-06-15 | — | — | US | disclosed |
| EP-0482771-A2 | Heterocyclic acids | ZENECA LIMITED (GB) | 1992-04-29 | — | — | EP | disclosed |