Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | APAF1 | O14727 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | LTA4H | P09960 | 8/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | BAX | Q07812 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL667594 | 0.95 | MEN1 (0.64) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| Methylamine SCHEMBL27916285 | 0.88 | MEN1 (0.63) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| Formic Acid SCHEMBL27604553 | 0.83 | SMN1; SMN2 (0.61) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10932544 | 0.81 | LTA4H (0.58) | MEN1KMT2AAPAF1LTA4HTSHR | |
| SCHEMBL2345370 | 0.79 | MEN1 (1.00) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5686801 | 0.79 | MEN1 (0.63) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| SCHEMBL806523 | 0.79 | MEN1 (0.63) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| SCHEMBL22010907 | 0.79 | MEN1 (0.63) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7030942 | 0.79 | MEN1 (0.63) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1748538 | 0.79 | MEN1 (0.63) | MEN1KMT2AAPAF1SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103814016-B | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2017-03-08 | — | — | CN | disclosed |