Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6770996 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TXNRD1TXNRD3TXNRD2POLB | |
| Hydrochloric Acid SCHEMBL6770644 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TXNRD1TXNRD3TXNRD2POLB | |
| SCHEMBL6778003 | 0.79 | DYRK1A (0.45) | ALDH1A1POLBKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL6589360 | 0.78 | TXNRD1 (0.49) | ALDH1A1TSHRTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL2978051 | 0.78 | HSD17B10 (0.46) | ALDH1A1TSHRTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL216931 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL5802273 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL4040996 | 0.75 | SMN1; SMN2 (0.46) | ALDH1A1TSHRTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL31165708 | 0.75 | SMN1; SMN2 (0.46) | ALDH1A1TSHRTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL17224014 | 0.74 | CYP1A2 (0.48) | ALDH1A1TXNRD1TXNRD3TXNRD2POLB |
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-6706663-B2 | CHEMICAL INTERMEDIATES | WYETH | 2004-03-16 | — | — | US | disclosed |
| US-20020028748-A1 | Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds | INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) | 2002-03-07 | — | — | 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-20020028748-A1 | Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds | CYP4X1, HAX1, DDT | ALDH1A1 201/4885TSHR 1747/4885TXNRD1 685/4885 |
“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.