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 | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 5/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12638408 | 0.97 | HPGD (0.52) | HPGDALOX15CDC25APABPC1APOBEC3A | |
| SCHEMBL12638421 | 0.97 | HPGD (0.52) | HPGDALOX15CDC25APABPC1APOBEC3A | |
| SCHEMBL12638437 | 0.97 | HPGD (0.52) | HPGDALOX15CDC25APABPC1APOBEC3A | |
| SCHEMBL1885098 | 0.97 | HPGD (0.52) | HPGDALOX15CDC25APABPC1APOBEC3A | |
| Bromide SCHEMBL10860878 | 0.92 | HPGD (0.52) | HPGDALOX15CDC25APABPC1APOBEC3A | |
| Water SCHEMBL4076519 | 0.91 | CDC25A (0.54) | HPGDALOX15CDC25AGNAI3GNAO1 | |
| SCHEMBL9935685 | 0.90 | HPGD (0.58) | HPGDALOX15CDC25APABPC1APOBEC3A | |
| SCHEMBL13042277 | 0.89 | CDC25A (0.55) | HPGDALOX15CDC25AGNAI3GNAO1 | |
| SCHEMBL4065812 | 0.89 | CDC25A (0.55) | HPGDALOX15CDC25AGNAI3GNAO1 | |
| SCHEMBL17419072 | 0.89 | CDC25A (0.55) | HPGDALOX15CDC25AGNAI3GNAO1 |
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-3732160-A1 | HYDROCARBON CONVERSION USING UZM-50 | UOP LLC (US) | 2020-11-04 | — | — | EP | disclosed |
| EP-3731964-A1 | ALUMINOSILICATE ZEOLITE UZM-50 | UOP LLC (US) | 2020-11-04 | — | — | EP | disclosed |