Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4ENPSR1SMN1; SMN2RECQL | |
| SCHEMBL22683993 | 0.81 | KDM4E (0.48) | ALDH1A1KDM4ENPSR1CYP2D6SMN1; SMN2 | |
| SCHEMBL1003970 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4ENPSR1CYP2D6SMN1; SMN2 | |
| SCHEMBL17896800 | 0.78 | MAP4K4 (0.50) | ALDH1A1KDM4ENPSR1CYP2D6SMN1; SMN2 | |
| SCHEMBL940416 | 0.76 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTNPSR1CYP2D6 | |
| SCHEMBL1005879 | 0.76 | KDM4E (0.62) | ALDH1A1KDM4ENPSR1CYP2D6SMN1; SMN2 | |
| SCHEMBL1006389 | 0.75 | KDM4E (0.54) | ALDH1A1KDM4ESMN1; SMN2LMNATSHR | |
| SCHEMBL31010040 | 0.75 | ALDH1A1 (0.62) | ALDH1A1KDM4EGAAPOLBSMN1; SMN2 | |
| SCHEMBL2547164 | 0.74 | KDM4E (0.53) | ALDH1A1KDM4ENPSR1SMN1; SMN2RECQL | |
| SCHEMBL17896323 | 0.74 | KDM4E (0.50) | ALDH1A1KDM4EPOLBNPSR1CYP2D6 |
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 |