Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1110997 | 0.84 | GAA (0.57) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL7082612 | 0.81 | GAA (0.46) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL13698782 | 0.79 | GAA (0.47) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL29046663 | 0.79 | MAPT (0.48) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL9248547 | 0.79 | ALPL (0.50) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL25304330 | 0.78 | GAA (0.53) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL29570242 | 0.78 | GAA (0.49) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL18981860 | 0.78 | GAA (0.49) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL3528669 | 0.78 | GAA (0.53) | GAAMAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL70011 | 0.78 | GAA (0.58) | GAAMAPTLMNASMN1; SMN2HPGD |
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-1473155-A | Pyrimidine derivatives and herbicides containing the same | ס������ũҩ��ʽ���� | 2004-02-04 | — | — | CN | disclosed |