Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | GCG | P01275 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1665673 | 0.84 | ESR2 (0.44) | GCGESR2MAPTLMNANPC1 | |
| SCHEMBL2270216 | 0.81 | KCNJ1 (0.47) | GCGESR2MAPTNPC1RAB9A | |
| SCHEMBL19763361 | 0.80 | TDP1 (0.49) | GCGESR2MAPTLMNANPC1 | |
| SCHEMBL18470549 | 0.79 | ESR2 (0.46) | GCGESR2MAPTLMNANPC1 | |
| SCHEMBL13492786 | 0.79 | ESR2 (0.66) | ESR2MAPTLMNANPC1RAB9A | |
| SCHEMBL26442788 | 0.77 | ESR2 (0.47) | GCGESR2MAPTLMNANPC1 | |
| SCHEMBL18470552 | 0.75 | ESR2 (0.43) | GCGESR2MAPTLMNANPC1 | |
| SCHEMBL13015506 | 0.74 | MEN1 (0.49) | ESR2NPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28541087 | 0.73 | MEN1 (0.49) | GCGESR2MAPTLMNANPC1 | |
| SCHEMBL28967464 | 0.73 | MEN1 (0.49) | GCGESR2MAPTLMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246317-B1 | BTK INHIBITOR | HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) | 2023-02-22 | — | — | EP | disclosed |
| EP-3246317-A1 | BTK INHIBITOR | Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) | 2017-11-22 | — | — | EP | disclosed |