Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL119203 | 0.87 | TSHR (0.50) | TSHRKDM4EHSD17B10ARL3MBTL1 | |
| SCHEMBL4203403 | 0.81 | TSHR (0.46) | TSHRKDM4EHSD17B10ARL3MBTL1 | |
| SCHEMBL10098510 | 0.81 | TSHR (0.46) | TSHRKDM4ESMN1; SMN2HSD17B10GAA | |
| SCHEMBL28863755 | 0.80 | LCK (0.44) | TSHRKDM4ESMN1; SMN2HSD17B10GAA | |
| SCHEMBL6322423 | 0.80 | TSHR (0.41) | TSHRS1PR3KDM4ESMN1; SMN2AR | |
| SCHEMBL5945887 | 0.78 | TSHR (0.48) | TSHRKDM4EHSD17B10ARL3MBTL1 | |
| SCHEMBL7714672 | 0.78 | KDM4E (0.48) | TSHRKDM4EHSD17B10ARUPP1 | |
| SCHEMBL23699496 | 0.76 | KDM4E (0.43) | MRGPRX4KDM4ESMN1; SMN2HSD17B10GAA | |
| SCHEMBL15758408 | 0.76 | KDM4E (0.43) | KDM4ESMN1; SMN2HSD17B10 | |
| Bicarbonate SCHEMBL28584252 | 0.76 | S1PR3 (0.52) | S1PR3KDM4EGAAFFAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4075181-A | POWDER COATING COMPOSITIONS BASED ON A CYCLIC NITRILE COMPOUND | ATLANTIC RICHFIELD COMPANY (US) | 1978-02-21 | — | — | US | disclosed |
| US-4021378-A | POLYURETHANES FROM CYCLIC NITRILE CARBONATE | ATLANTIC RICHFIELD COMPANY (US) | 1977-05-03 | — | — | US | disclosed |
| US-4020023-A | ADIPODI(NITRILE CARBONATE) | ATLANTIC RICHFIELD COMPANY (US) | 1977-04-26 | — | — | US | disclosed |