Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL219423 | 0.94 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL13863197 | 0.93 | ESR1 (0.52) | ALDH1A1HSD17B10SPHK1LMNATHRA | |
| SCHEMBL416529 | 0.89 | RARB (0.56) | ALDH1A1HPGDHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL847304 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HPGDHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL6067892 | 0.86 | ESR1 (0.57) | ALDH1A1HSD17B10LMNATHRATHRB | |
| SCHEMBL2120077 | 0.86 | ESR1 (0.57) | ALDH1A1HSD17B10LMNATHRATHRB | |
| SCHEMBL11811560 | 0.86 | ESR1 (0.57) | ALDH1A1HSD17B10LMNATHRATHRB | |
| SCHEMBL20594193 | 0.86 | ESR1 (0.57) | ALDH1A1HSD17B10LMNATHRATHRB | |
| SCHEMBL1872841 | 0.86 | ESR1 (0.57) | ALDH1A1HSD17B10LMNATHRATHRB | |
| SCHEMBL9026740 | 0.86 | ESR1 (0.57) | ALDH1A1HSD17B10LMNATHRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| US-7589232-B2 | Alkynyl aryl carboxamides | LABORATORIES SERONO S.A. (CH) | 2009-09-15 | — | — | US | disclosed |
| US-20070105913-A1 | Alkynyl aryl carboxamides | APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) | 2007-05-10 | — | — | 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 (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-20070105913-A1 | Alkynyl aryl carboxamides | ECHS1, IRS1, HCCS | ALDH1A1 1454/4885HPGD 2133/4885HSD17B10 80/4885 |
“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.