Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 8/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10068808 | 0.94 | HTT (0.43) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL1568426 | 0.91 | ADRB2 (0.47) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10069575 | 0.90 | HTT (0.41) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10068796 | 0.89 | REN (0.40) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10069327 | 0.89 | HTT (0.40) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10068815 | 0.89 | ADRB2 (0.41) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10069564 | 0.89 | REN (0.40) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10069567 | 0.87 | ADRB2 (0.40) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10068711 | 0.87 | ADRB3 (0.44) | HTTTSHRMAPK1MEN1MAPT | |
| SCHEMBL10069036 | 0.86 | HTT (0.38) | HTTTSHRMAPK1MEN1MAPT |
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-2012019428-A1 | BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |