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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7017588 | 0.95 | KDM4E (0.48) | TDP1KDM4ELMNAALDH1A1HTT | |
| SCHEMBL8185677 | 0.91 | PDE4A (0.41) | TDP1KDM4ELMNAALDH1A1HTT | |
| Bicarbonate SCHEMBL7013942 | 0.90 | TDP1 (0.42) | TDP1KDM4ELMNAALDH1A1HTT | |
| Bicarbonate SCHEMBL7016836 | 0.89 | KDM4E (0.43) | TDP1KDM4ELMNAALDH1A1HTT | |
| Bicarbonate SCHEMBL7019467 | 0.87 | TDP1 (0.40) | TDP1KDM4ELMNAALDH1A1HTT | |
| Bicarbonate SCHEMBL7017937 | 0.86 | PDE5A (0.47) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| Bicarbonate SCHEMBL7017137 | 0.86 | LMNA (0.49) | TDP1KDM4ELMNAALDH1A1HTT | |
| SCHEMBL8182496 | 0.85 | PDE4A (0.47) | TDP1KDM4ELMNAALDH1A1HTT | |
| Bicarbonate SCHEMBL7011626 | 0.84 | KDM4E (0.48) | TDP1KDM4ELMNAALDH1A1HTT | |
| Bicarbonate SCHEMBL7018830 | 0.84 | ALDH1A1 (0.41) | TDP1KDM4ELMNAALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0934321-B1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2003-08-06 | — | — | EP | disclosed |
| EP-0934321-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GmbH (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017668-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 1998-04-30 | — | — | WO | disclosed |