Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | GSK3B | P49841 | 5/20 | 0.66 |
| ▸ | GSK3A | P49840 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8853517 | 0.84 | MEN1 (0.73) | TSHRGSK3BGSK3AALDH1A1POLB | |
| SCHEMBL29979053 | 0.83 | ALDH1A1 (0.57) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL29226911 | 0.83 | TSHR (0.60) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL23768836 | 0.83 | SIGMAR1 (0.64) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL31490096 | 0.83 | SIGMAR1 (0.64) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL23768993 | 0.83 | ALDH1A1 (0.57) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL9628800 | 0.82 | MEN1 (0.62) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL5340775 | 0.82 | ALDH1A1 (0.56) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL29227219 | 0.82 | ALDH1A1 (0.59) | TSHRGSK3BGSK3AALDH1A1CYP2C9 | |
| SCHEMBL29261955 | 0.81 | TSHR (0.62) | TSHRALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-104370853-B | GSK-3 beta inhibitor or its salt and medicinal usage thereof | 复旦大学 | 2016-08-10 | — | — | CN | disclosed |
| US-5814651-A | PHOSPHODIESTERASE TYPE FOUR INHIBITORS | PFIZER INC. (US) | 1998-09-29 | — | — | US | disclosed |
| EP-0672031-A1 | CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS | PFIZER INC. (US) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994012461-A1 | CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS | PFIZER INC. (US) | 1994-06-09 | — | — | WO | disclosed |