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 | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 10/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | RAD52 | P43351 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | APEX1 | P27695 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599841 | 0.97 | BBOX1 (0.50) | BBOX1DNM1KMT2AHSP90AA1RAD52 | |
| SCHEMBL7595445 | 0.97 | BBOX1 (0.50) | BBOX1DNM1KMT2AHSP90AA1RAD52 | |
| SCHEMBL7595433 | 0.97 | BBOX1 (0.50) | BBOX1DNM1KMT2AHSP90AA1RAD52 | |
| SCHEMBL16306575 | 0.97 | BBOX1 (0.50) | BBOX1DNM1KMT2AHSP90AA1RAD52 | |
| Bromide SCHEMBL7596059 | 0.93 | DNM1 (0.50) | BBOX1DNM1KMT2AHSP90AA1RAD52 | |
| Bromide SCHEMBL7595023 | 0.93 | DNM1 (0.50) | BBOX1DNM1KMT2AHSP90AA1RAD52 | |
| Bromide SCHEMBL7594474 | 0.93 | DNM1 (0.50) | BBOX1DNM1KMT2AHSP90AA1RAD52 | |
| SCHEMBL2336593 | 0.88 | DNM1 (0.62) | DNM1KMT2AHSP90AA1RAD52HTT | |
| SCHEMBL2336689 | 0.88 | DNM1 (0.62) | DNM1KMT2AHSP90AA1RAD52HTT | |
| SCHEMBL1237102 | 0.88 | DNM1 (0.62) | DNM1KMT2AHSP90AA1RAD52HTT |
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-9550684-B2 | Process for making molecular sieves | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2017-01-24 | — | — | US | disclosed |
| US-20160090308-A1 | A Process for Making Molecular Sieves | EXXONMOBIL CHEMICAL PATENTS INC. | 2016-03-31 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160090308-A1 | A Process for Making Molecular Sieves | NPM1, HNRNPM, POLM | BBOX1 3460/4885DNM1 558/4885KMT2A 2354/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.