Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.62 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 6/20 | 0.60 |
| ▸ | HTT | P42858 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.54 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | RGS12 | O14924 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4865275 | 1.00 | ALDH1A1 (0.62) | ALDH1A1ASAH1ACER2LMNAHTT | |
| SCHEMBL4866142 | 1.00 | ALDH1A1 (0.62) | ALDH1A1ASAH1ACER2LMNAHTT | |
| SCHEMBL4866148 | 1.00 | ALDH1A1 (0.62) | ALDH1A1ASAH1ACER2LMNAHTT | |
| SCHEMBL19671222 | 0.85 | ALDH1A1 (0.68) | ALDH1A1ASAH1ACER2LMNAHTT | |
| SCHEMBL8073651 | 0.83 | ALDH1A1 (0.75) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL21051184 | 0.82 | ALDH1A1 (0.78) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL21192991 | 0.82 | ACACB (0.49) | ALDH1A1ASAH1ACER2LMNAHTT | |
| SCHEMBL4774977 | 0.81 | CNR2 (0.47) | ALDH1A1ASAH1ACER2LMNAHTT | |
| SCHEMBL10635154 | 0.81 | ALDH1A1 (0.55) | ALDH1A1ASAH1ACER2LMNAHTT | |
| SCHEMBL2938094 | 0.81 | ALDH1A1 (0.66) | ALDH1A1LMNAHTTSMN1; SMN2NCOA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7407960-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2008-08-05 | — | — | US | disclosed |
| EP-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |
| US-20070004751-A1 | Substituted heterocyclic compounds | ELZEIN ELFATIH | 2007-01-04 | — | — | US | disclosed |
| US-7125876-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| US-20040152890-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-08-05 | — | — | US | 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 (2 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-20040152890-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | ALDH1A1 245/4885ASAH1 799/4885ACER2 2244/4885 |
| US-20070004751-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | ALDH1A1 281/4885ASAH1 785/4885ACER2 2027/4885 |
“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.