Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1040663 | 0.84 | CHRM2 (0.61) | SMN1; SMN2CYP1A2TSHRKDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL9571825 | 0.83 | CYP1A2 (0.48) | SMN1; SMN2CYP1A2CYP2D6MAPTTSHR | |
| Trifluoroacetic Acid SCHEMBL27893064 | 0.83 | CYP1A2 (0.48) | SMN1; SMN2CYP1A2CYP2D6MAPTTSHR | |
| Hydrochloric Acid SCHEMBL28386195 | 0.82 | CHRM2 (0.59) | SMN1; SMN2KDM4EALDH1A1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL3489057 | 0.82 | SMN1; SMN2 (0.54) | SMN1; SMN2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL28390369 | 0.81 | LMNA (0.58) | SMN1; SMN2POLBKDM4EALDH1A1MEN1 | |
| Acetic Acid SCHEMBL19585270 | 0.79 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP1A2CYP2D6MAPTTSHR | |
| Trifluoroacetic Acid SCHEMBL27938747 | 0.77 | CYP1A2 (0.52) | SMN1; SMN2CYP1A2CYP2D6MAPTTSHR | |
| Trifluoroacetic Acid SCHEMBL29880646 | 0.76 | PTPRA (0.47) | SMN1; SMN2CYP1A2CYP2D6MAPTTSHR | |
| Trifluoroacetic Acid SCHEMBL20479965 | 0.76 | PTPRA (0.47) | SMN1; SMN2CYP1A2CYP2D6MAPTTSHR |
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-110872251-A | N-ethylpyridine methylamine trifluoroacetate and crystal, preparation process and application thereof | 卡博金艾美斯医药(上海)有限公司 | 2020-03-10 | — | — | CN | claimed |
| CN-110872251-A | N-ethylpyridine methylamine trifluoroacetate and crystal, preparation process and application thereof | 卡博金艾美斯医药(上海)有限公司 | 2020-03-10 | — | — | CN | disclosed |