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 | 8/20 | 0.52 |
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | RECQL | P46063 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | ALPG | P10696 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.37 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12852039 | 0.99 | MAPT (0.53) | MAPTGAALMNANPSR1MEN1 | |
| Iodide SCHEMBL5574102 | 0.99 | MAPT (0.53) | MAPTGAALMNANPSR1MEN1 | |
| Hydrochloric Acid SCHEMBL5573265 | 0.98 | MAPT (0.52) | MAPTGAALMNANPSR1MEN1 | |
| SCHEMBL8681138 | 0.80 | MAPT (0.57) | MAPTGAALMNANPSR1MEN1 | |
| SCHEMBL8682613 | 0.79 | MAPT (0.56) | MAPTGAALMNANPSR1MEN1 | |
| SCHEMBL5574082 | 0.78 | MAPT (0.55) | MAPTGAALMNANPSR1MEN1 | |
| SCHEMBL8680295 | 0.76 | MAPT (0.62) | MAPTGAALMNANPSR1MEN1 | |
| SCHEMBL8680678 | 0.76 | MAPT (0.56) | MAPTGAALMNANPSR1MEN1 | |
| SCHEMBL8680325 | 0.76 | MAPT (0.56) | MAPTGAALMNANPSR1MEN1 | |
| SCHEMBL12852038 | 0.75 | MAPT (0.45) | MAPTGAALMNANPSR1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8277749-B2 | Time-temperature indicator based on valence isomerizations | FRESHPOINT HOLDINGS S.A. (CH) | 2012-10-02 | — | — | US | disclosed |
| US-20070172951-A1 | Time-temperature indicator based on valence isomerizations | FRESHPOINT QUALITY ASSURANCE LTD. (IL) | 2007-07-26 | — | — | US | disclosed |
| EP-1711809-A2 | TIME-TEMPERATURE INDICATOR BASED ON VALENCE ISOMERIZATIONS | FRESHPOINT HOLDINGS SA (CH) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005075978-A2 | TIME-TEMPERATURE INDICATOR BASED ON VALENCE ISOMERIZATIONS | FRESHPOINT HOLDINGS SA (CH) | 2005-08-18 | — | — | WO | disclosed |