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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12417032 | 0.94 | IDO1 (0.66) | IDO1AKR1C3MAOBTSHRRAB9A | |
| SCHEMBL6399778 | 0.81 | IDO1 (0.59) | IDO1AKR1C3MAOBTSHRRAB9A | |
| SCHEMBL37665 | 0.81 | AKR1C3 (0.62) | IDO1AKR1C3MAOBTSHRRAB9A | |
| Hydrochloric Acid SCHEMBL11843534 | 0.80 | IDO1 (0.61) | IDO1AKR1C3MAOBTSHRRAB9A | |
| SCHEMBL37664 | 0.79 | HTR2A (0.62) | IDO1AKR1C3MAOBTSHRRAB9A | |
| SCHEMBL11419632 | 0.79 | IDO1 (0.56) | IDO1AKR1C3MAOBRAB9APLA2G4B | |
| SCHEMBL5278978 | 0.79 | IDO1 (0.56) | IDO1AKR1C3MAOBTSHRRAB9A | |
| SCHEMBL8062311 | 0.78 | IDO1 (0.70) | IDO1AKR1C3MAOBTSHRRAB9A | |
| SCHEMBL37463 | 0.78 | IDO1 (0.70) | IDO1AKR1C3MAOBTSHRRAB9A | |
| SCHEMBL3687614 | 0.77 | RAB9A (0.67) | IDO1AKR1C3MAOBTSHRRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002016347-A1 | ACTIVE METABOLITE OF GEPIRONE | AKZO NOBEL N.V. (NL) | 2002-02-28 | — | — | WO | disclosed |