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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1842505 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL31513480 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Fluoride Ion SCHEMBL7552453 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Bromide SCHEMBL11552667 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL27518299 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL7546880 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Iodide SCHEMBL28965043 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL7546886 | 0.95 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL146078 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Naphthalene SCHEMBL27765873 | 0.93 | ALDH1A1 (0.44) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |