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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2065874 | 0.97 | TSHR (0.37) | TSHR | |
| Acetic Acid SCHEMBL320126 | 0.83 | CA1 (0.36) | TSHR | |
| Water SCHEMBL319031 | 0.73 | — | — | |
| Water SCHEMBL319989 | 0.73 | TSHR (0.30) | TSHR | |
| Hydrochloric Acid SCHEMBL8694679 | 0.72 | TSHR (0.42) | TSHR | |
| SCHEMBL993288 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10624550 | 0.71 | TSHR (0.35) | TSHR | |
| SCHEMBL27712573 | 0.69 | — | — | |
| SCHEMBL2065110 | 0.69 | — | — | |
| SCHEMBL2064677 | 0.69 | TSHR (0.32) | TSHR |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118125467-A | Preparation method and application of Nb-Beta molecular sieve | 中国科学院大连化学物理研究所 | 2024-06-04 | — | — | CN | claimed |
| CN-111825103-B | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | claimed |
| CN-111825102-B | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2022-03-22 | — | — | CN | claimed |
| CN-111825102-A | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2020-10-27 | — | — | CN | claimed |
| CN-111825103-A | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2020-10-27 | — | — | CN | claimed |
| CN-115772252-B | TDI curing agent with low free monomer and good matte property, preparation method and application thereof | 万华化学集团股份有限公司 | 2025-04-01 | — | — | CN | disclosed |
| CN-118125467-A | Preparation method and application of Nb-Beta molecular sieve | 中国科学院大连化学物理研究所 | 2024-06-04 | — | — | CN | disclosed |
| CN-112079979-B | Bio-based pentamethylene diisocyanate curing agent and preparation method and application thereof | 中海油常州涂料化工研究院有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-111825103-B | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | disclosed |
| CN-111825102-B | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2022-03-22 | — | — | CN | disclosed |
| CN-112079979-A | Bio-based pentamethylene diisocyanate curing agent and preparation method and application thereof | 中海油常州涂料化工研究院有限公司 | 2020-12-15 | — | — | CN | disclosed |
| CN-111825103-A | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2020-10-27 | — | — | CN | disclosed |
| WO-2008110604-A1 | POLYISOCYANATE-BASED ADHESIVE | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008110602-A1 | POLYISOCYANATE-BASED ADHESIVE | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-18 | — | — | WO | disclosed |
| EP-1970420-A1 | Polyisocyanate-based adhesive composition | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-17 | — | — | EP | disclosed |
| US-7405258-B2 | Method for producing polyurethane emulsion for aqueous one-component coating agent | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2008-07-29 | — | — | US | disclosed |
| US-20070155894-A1 | Method for producing polyurethane emulsion for aqueous one-component coating agent | NIPPON POLYURETHANE INDUSTRY CO., LTD. | 2007-07-05 | — | — | US | disclosed |
| EP-1721947-A1 | PROCESS FOR PRODUCING POLYURETHANE EMULSION FOR WATER-BASED ONE-PACK TYPE COATING MATERIAL | Nippon Polyurethane Industry Co., Ltd. (JP) | 2006-11-15 | — | — | EP | disclosed |
| US-6596819-B2 | An isocyanate group-terminated prepolymer having isocyanurate group and urethane group, obtained by reacting an organic polyisocyanate containing at least (a1) an aromatic diisocyanate with an active hydrogen group-containing compound | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2003-07-22 | — | — | US | disclosed |
| US-20030083451-A1 | Polyisocyanate curing agent for laminate adhesive and process for production thereof | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2003-05-01 | — | — | US | disclosed |