Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | EEF2K | O00418 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 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 | |
|---|---|---|---|---|
| SCHEMBL16970721 | 0.79 | ALDH1A1 (0.50) | LMNAHTTSMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL16979684 | 0.79 | LMNA (0.49) | LMNAHTTSMN1; SMN2ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL28112642 | 0.78 | ALDH1A1 (0.49) | LMNAHTTSMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL7087533 | 0.75 | L3MBTL1 (0.41) | LMNAALDH1A1TDP1TSHRKMT2A | |
| SCHEMBL16979680 | 0.72 | MAPT (0.45) | HTTSMN1; SMN2ALDH1A1TDP1TSHR | |
| SCHEMBL16970682 | 0.70 | CYP3A4 (0.49) | LMNAHTTSMN1; SMN2GAAALDH1A1 | |
| SCHEMBL18120663 | 0.70 | ALDH1A1 (0.46) | HTTSMN1; SMN2ALDH1A1TDP1TSHR | |
| SCHEMBL16971171 | 0.70 | ALDH1A1 (0.45) | LMNAHTTSMN1; SMN2GAAALDH1A1 | |
| SCHEMBL17879527 | 0.70 | ALDH1A1 (0.46) | LMNAHTTSMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL16971170 | 0.70 | ALDH1A1 (0.45) | LMNAHTTSMN1; SMN2GAAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106163509-B | β -substituted β -amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-106163509-A | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2016-11-23 | — | — | CN | disclosed |