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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL330814 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| SCHEMBL330794 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| SCHEMBL330563 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| SCHEMBL331266 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| SCHEMBL4539901 | 0.88 | KCNH2 (0.42) | SMN1; SMN2TSHRHTTS1PR3TDP1 | |
| SCHEMBL5080911 | 0.86 | KCNH2 (0.42) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| SCHEMBL8444684 | 0.86 | SMN1; SMN2 (0.40) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| Cetrimonium SCHEMBL331885 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| SCHEMBL331100 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2TSHRHTTMEN1KMT2A | |
| SCHEMBL331151 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2TSHRHTTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7015185-B2 | Ammonium nitriles and the use thereof as hydrophobic bleaching activators | CLARIANT GMBH (DE) | 2006-03-21 | — | — | US | disclosed |
| US-20040266644-A1 | Ammonium nitriles and the use thereof as hydrophobic bleaching activators | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2004-12-30 | — | — | US | disclosed |