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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | THRB | P10828 | 3/20 | 0.53 |
| ▸ | RECQL | P46063 | 3/20 | 0.53 |
| ▸ | BLM | P54132 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | RAD52 | P43351 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9329059 | 0.95 | MAPT (0.56) | MAPTMEN1THRBRECQLBLM | |
| SCHEMBL14349142 | 0.95 | MAPT (0.51) | MAPTMEN1THRBRECQLBLM | |
| SCHEMBL8943182 | 0.94 | MAPT (0.56) | MAPTMEN1THRBRECQLBLM | |
| SCHEMBL13588290 | 0.94 | MAPT (0.56) | MAPTMEN1THRBRECQLBLM | |
| SCHEMBL12270728 | 0.94 | MAPT (0.56) | MAPTMEN1THRBRECQLBLM | |
| SCHEMBL11651657 | 0.94 | MAPT (0.55) | MAPTMEN1THRBRECQLBLM | |
| SCHEMBL14349141 | 0.93 | MAPT (0.65) | MAPTMEN1THRBRECQLBLM | |
| SCHEMBL9664808 | 0.92 | MAPT (0.56) | MAPTMEN1THRBRECQLBLM | |
| Pyridine SCHEMBL10522884 | 0.90 | MAPT (0.52) | MAPTMEN1THRBRECQLBLM | |
| Pyridine SCHEMBL5078591 | 0.89 | MAPT (0.52) | MAPTMEN1THRBRECQLBLM |
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-4145218-A | AMINO-THIO COMPOUNDS | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1979-03-20 | — | — | US | disclosed |
| US-4010035-A | DEVELOPMENT INHIBITOR RELEASING COMPOUND, HARDENER | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) | 1977-03-01 | — | — | US | disclosed |