Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14802526 | 0.84 | NQO1 (0.49) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL8372531 | 0.82 | HSD17B3 (0.62) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL637265 | 0.81 | NQO1 (0.56) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL18483310 | 0.80 | CYP2A6 (0.50) | NQO1CA12CA1CA9MAOA | |
| SCHEMBL25825536 | 0.80 | CA12 (0.50) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL18138409 | 0.79 | NQO1 (0.58) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL30486066 | 0.79 | CA12 (0.61) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL5459900 | 0.79 | CA12 (0.61) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL7255605 | 0.78 | HSD17B3 (0.65) | NQO1CA12CA1CA9CYP19A1 | |
| SCHEMBL1209429 | 0.77 | PON1 (0.58) | NQO1CA12CA1CA9CYP19A1 |
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-12018315-B2 | Peptide nucleic acid functionalized hydrogel microneedles for sampling and detection of interstitial fluid nucleic acids | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2024-06-25 | — | — | US | disclosed |
| US-20200377929-A1 | PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2020-12-03 | — | — | US | disclosed |