Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CFD | P00746 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL149946 | 0.82 | TSHR (0.49) | PTPN1TSHRCFDNR3C1TNFSF11 | |
| SCHEMBL28427140 | 0.82 | NCEH1 (0.50) | PTPN1TSHRACHENCEH1HTT | |
| SCHEMBL6888521 | 0.79 | CA2 (0.41) | PTPN1ACHEALDH1A1KDM4E | |
| SCHEMBL3539621 | 0.79 | ALDH1A1 (0.40) | TSHRHTTCFDMAPK1POLB | |
| SCHEMBL151821 | 0.77 | TSHR (0.55) | PTPN1TSHRMAPK1NR3C1TNFSF11 | |
| SCHEMBL5237686 | 0.77 | ACHE (0.44) | PTPN1TSHRACHENCEH1HTT | |
| SCHEMBL14407294 | 0.77 | TSHR (0.50) | PTPN1TSHRACHEMAPK1NR3C1 | |
| SCHEMBL28427329 | 0.77 | KDM4E (0.43) | PTPN1ACHENCEH1HTTMAPK1 | |
| SCHEMBL7565582 | 0.76 | PTPN1 (0.51) | PTPN1TSHRACHEHTTCFD | |
| SCHEMBL10442008 | 0.76 | MAPK1 (0.50) | PTPN1TSHRNCEH1HTTCFD |
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-2427444-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |