Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 3/20 | 0.44 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3436318 | 0.87 | CYP46A1 (0.55) | TSHRTRPV1ALDH1A1LMNAMAPT | |
| SCHEMBL3436317 | 0.83 | ALDH1A1 (0.62) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL3436316 | 0.81 | TSHR (0.58) | TSHRALDH1A1LMNAMAPTAKR1C3 | |
| SCHEMBL19049632 | 0.81 | TSHR (0.58) | TSHRTRPV1CA12CA1CA2 | |
| SCHEMBL3436325 | 0.81 | LMNA (0.53) | TSHRTRPV1LMNAKDM4E | |
| SCHEMBL3436327 | 0.78 | HPGD (0.60) | ALDH1A1MAPTKDM4EL3MBTL1 | |
| SCHEMBL3436359 | 0.78 | NOTUM (0.54) | TSHRTRPV1CA12CA1CA2 | |
| SCHEMBL3436320 | 0.78 | CYP46A1 (0.55) | TSHRAKR1C3SLC18A3ADRB1NPY5R | |
| SCHEMBL16232914 | 0.77 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTHTT | |
| SCHEMBL3092123 | 0.77 | TSHR (0.77) | TSHRCA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006110516-A1 | ACYLHYDRAZIDE P2X7 ANTAGONISTS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2006-10-19 | — | — | WO | disclosed |