Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL903893 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4EHTTSMN1; SMN2ACHE | |
| SCHEMBL15495062 | 0.79 | CHKA (0.58) | ALDH1A1KDM4EHTTLMNA | |
| SCHEMBL4694589 | 0.75 | ALDH1A1 (0.72) | ALDH1A1KDM4EHTTSMN1; SMN2ACHE | |
| SCHEMBL2233426 | 0.75 | FAAH (0.48) | ALDH1A1HTTACHE | |
| SCHEMBL904202 | 0.73 | ALDH1A1 (0.51) | ALDH1A1KDM4EHTTSMN1; SMN2LMNA | |
| SCHEMBL1003970 | 0.73 | ALDH1A1 (0.51) | ALDH1A1KDM4EHTTSMN1; SMN2KCNH2 | |
| SCHEMBL904002 | 0.73 | KDM4E (0.51) | ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL903886 | 0.73 | KDM4E (0.54) | ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL23235186 | 0.73 | HRH3 (0.54) | ALDH1A1KDM4EHTTSMN1; SMN2 | |
| SCHEMBL17994021 | 0.73 | CXCR4 (0.50) | ALDH1A1HTTACHE |
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-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |