Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CFTR | P13569 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5053435 | 0.92 | TSHR (0.51) | TSHRKDM4EALDH1A1MAPK1TDP1 | |
| SCHEMBL5136268 | 0.88 | TSHR (0.53) | TSHRKDM4EALDH1A1MAPK1TDP1 | |
| SCHEMBL5136588 | 0.87 | TSHR (0.47) | TSHRKDM4EALDH1A1MAPK1TDP1 | |
| SCHEMBL5134505 | 0.86 | PKM (0.51) | TSHRKDM4EMAPK1CYP2C9HDAC3 | |
| SCHEMBL5135328 | 0.81 | TDP1 (0.58) | TSHRKDM4EALDH1A1TDP1MAPT | |
| SCHEMBL5135828 | 0.80 | TDP1 (0.57) | TSHRKDM4EALDH1A1TDP1CYP2C9 | |
| SCHEMBL12172745 | 0.80 | TSHR (0.71) | TSHRKDM4EALDH1A1MAPK1TDP1 | |
| SCHEMBL29370283 | 0.80 | TSHR (0.71) | TSHRKDM4EALDH1A1MAPK1TDP1 | |
| SCHEMBL5136943 | 0.79 | TSHR (0.51) | TSHRTDP1MEN1KMT2A | |
| SCHEMBL23707941 | 0.79 | TSHR (0.56) | TSHRKDM4EMAPK1TDP1CFTR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |