Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Pantothenic Acid, Racemic. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 13/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Pantothenic Acid SCHEMBL482266 | 1.00 | VNN1 (0.61) | VNN1PTGS1KCNH2MMEACE | |
| Pantothenic Acid, Racemic SCHEMBL28332288 | 0.83 | PTGS1 (0.56) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid, Racemic SCHEMBL5437 | 0.83 | PTGS1 (0.67) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid, Racemic SCHEMBL21114380 | 0.83 | PTGS1 (0.67) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid SCHEMBL21547 | 0.83 | PTGS1 (0.67) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid SCHEMBL29872649 | 0.83 | PTGS1 (0.67) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid SCHEMBL14126322 | 0.83 | PTGS1 (0.67) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid SCHEMBL7016631 | 0.83 | PTGS1 (0.67) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid SCHEMBL5436 | 0.83 | PTGS1 (0.67) | VNN1PTGS1KCNH2 | |
| Pantothenic Acid SCHEMBL7301453 | 0.82 | PTGS1 (0.55) | VNN1PTGS1KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411352-A2 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Abbott Laboratories (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111436-A2 | ANTIVIRAL COMPOUNDS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-09-30 | — | — | WO | disclosed |