Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | BMP1 | P13497 | 3/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8122129 | 0.82 | F7 (0.40) | F2F10OPRD1 | |
| SCHEMBL8121505 | 0.77 | NPC1 (0.38) | CA12CA1CA2CA4CA9 | |
| SCHEMBL8122077 | 0.76 | EPOR (0.39) | — | |
| SCHEMBL8126001 | 0.76 | F7 (0.44) | F2F10OPRD1ALDH1A1 | |
| SCHEMBL8125787 | 0.76 | NPY4R (0.41) | — | |
| SCHEMBL8127029 | 0.76 | NPY1R (0.41) | CNR2 | |
| SCHEMBL9203013 | 0.75 | F7 (0.45) | F2F10 | |
| SCHEMBL8528194 | 0.74 | F7 (0.40) | TPSAB1F2F10 | |
| SCHEMBL8127572 | 0.74 | HDAC3 (0.40) | — | |
| SCHEMBL8123562 | 0.74 | NPY4R (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |