Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1572815 | 1.00 | TSHR (0.36) | TSHRALDH1A1CYP2C9HSD17B10CYP2D6 | |
| SCHEMBL28450914 | 0.97 | CYP2C9 (0.35) | TSHRALDH1A1CYP2C9HSD17B10CYP2D6 | |
| SCHEMBL28727615 | 0.97 | CYP2C9 (0.35) | TSHRALDH1A1CYP2C9HSD17B10CYP2D6 | |
| Mercaptopropionic Acid SCHEMBL27968512 | 0.84 | ACE (0.38) | ALDH1A1CYP2C9HSD17B10FFAR3 | |
| SCHEMBL1245572 | 0.80 | CHRM1 (0.42) | TSHRALDH1A1CA2MAPK1 | |
| SCHEMBL2349381 | 0.79 | TSHR (0.32) | TSHRCA2MAPK1 | |
| SCHEMBL3391927 | 0.79 | SLC1A2 (0.38) | TSHRALDH1A1CYP2C9HSD17B10CYP2D6 | |
| SCHEMBL3794658 | 0.79 | KDM4E (0.41) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL9619838 | 0.79 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL11338453 | 0.79 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7265155-B2 | Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound | NBS PHARMACEUTICALS, INC. (US) | 2007-09-04 | — | — | US | disclosed |
| US-20040072900-A1 | Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound | NPS PHARMACEUTICALS | 2004-04-15 | — | — | US | disclosed |
| US-6589994-B1 | Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound | NPS PHARMACEUTICALS, INC. | 2003-07-08 | — | — | US | disclosed |
| US-6383527-B1 | FOR TREATMENT OF ACUTE MUSCULAR ACHES, STRAINS, AND SPRAINS WHICH OCCUR FROM A LOCALIZED, EXTERNAL INSULT TO A PARTICULAR MUSCLE OR MUSCLE GROUP | NPS PHARMACEUTICALS, INC. | 2002-05-07 | — | — | US | disclosed |
| EP-1059930-A1 | COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID | NPS PHARMACEUTICALS, INC. (US) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999044623-A1 | COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID | NPS PHARMACEUTICALS, INC. (US) | 1999-09-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040072900-A1 | Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound | GABRG3, NLN, GABRA4 | TSHR 2456/4885ALDH1A1 4118/4885CYP2C9 2980/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.