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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.93 |
| ▸ | POLB | P06746 | 3/20 | 0.59 |
| ▸ | USP2 | O75604 | 2/20 | 0.59 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29976014 | 0.98 | KDM4E (0.97) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL2541887 | 0.98 | KDM4E (0.97) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| Bromide SCHEMBL9446887 | 0.97 | KDM4E (1.00) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL2543845 | 0.80 | KDM4E (0.66) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL230367 | 0.79 | PLD1 (0.68) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL157489 | 0.79 | PLD1 (0.68) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL29462629 | 0.79 | PLD1 (0.68) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL18228078 | 0.79 | PLD1 (0.68) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL15800694 | 0.79 | PLD1 (0.73) | KDM4EPOLBUSP2PLD1ALDH1A1 | |
| SCHEMBL21353591 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3442906-A1 | SYNTHESIS OF MOLECULAR SIEVE SSZ-98 | Chevron U.S.A. Inc. (US) | 2019-02-20 | — | — | EP | disclosed |
| US-9815705-B2 | Synthesis of molecular sieve SSZ-98 | CHEVRON U.S.A. INC. (US) | 2017-11-14 | — | — | US | disclosed |
| WO-2017180222-A1 | SYNTHESIS OF MOLECULAR SIEVE SSZ-98 | CHEVRON U.S.A. INC. (US) | 2017-10-19 | — | — | WO | disclosed |
| US-20170291823-A1 | SYNTHESIS OF MOLECULAR SIEVE SSZ-98 | CHEVRON U.S.A. INC. | 2017-10-12 | — | — | US | disclosed |