Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29028819 | 0.81 | TSHR (0.48) | SMN1; SMN2TSHRALDH1A1KDM4EMEN1 | |
| SCHEMBL5069254 | 0.80 | TSHR (0.50) | SMN1; SMN2TSHRALDH1A1KDM4EMEN1 | |
| SCHEMBL15656167 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL12950185 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3903307 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL24668102 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3082261 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3090419 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3075568 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3818992 | 0.78 | CA1 (0.67) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113195824-A | N-halamine-containing polyethyleneimine compounds and derivatives thereof | 美利肯公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-113167016-A | Laundry care compositions comprising N-halamine-containing polyethyleneimine compounds and derivatives thereof | 美利肯公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-113166414-A | N-halamine-containing polyethyleneimine compounds and derivatives thereof | 美利肯公司 | 2021-07-23 | — | — | CN | disclosed |