Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | OXTR | P30559 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21834947 | 0.80 | HTT (0.41) | KDM4EKMT2ANPC1CASP3RAB9A | |
| SCHEMBL21834944 | 0.72 | KDM4E (0.39) | KDM4EKMT2ANPC1CASP3RAB9A | |
| SCHEMBL15305702 | 0.69 | NPC1 (0.48) | KDM4EKMT2ANPC1CASP3RAB9A | |
| SCHEMBL31139527 | 0.69 | KMT2A (0.52) | KDM4EKMT2ANPC1RAB9ANR1H2 | |
| SCHEMBL28867944 | 0.68 | KMT2A (0.46) | KDM4EKMT2ANPC1CASP3RAB9A | |
| SCHEMBL14507079 | 0.68 | KMT2A (0.58) | KDM4EKMT2ANPC1CASP3RAB9A | |
| SCHEMBL5158893 | 0.67 | PARP1 (0.35) | KDM4ENPC1RAB9AMAPTGAA | |
| SCHEMBL23087747 | 0.67 | KMT2A (0.42) | KDM4EKMT2ANPC1CASP3RAB9A | |
| SCHEMBL5562016 | 0.66 | HSD11B1 (0.52) | KDM4EKMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL9294473 | 0.66 | HSD11B1 (0.52) | KDM4EKMT2ANPC1CASP3RAB9A |
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-110563643-A | synthesis method of (5-bromo-3-methyl-pyridin-2-yl) -methylamine | 常州齐晖药业有限公司 | 2019-12-13 | — | — | CN | disclosed |