Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 3/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1984721 | 0.92 | KMT2A (0.51) | VCAM1KMT2AMEN1CA1CA12 | |
| SCHEMBL2081987 | 0.90 | KMT2A (0.50) | VCAM1KMT2AMEN1CA1PTPN1 | |
| SCHEMBL29768564 | 0.87 | VCAM1 (0.50) | VCAM1KMT2AMEN1CA1CA12 | |
| SCHEMBL16694833 | 0.87 | VCAM1 (0.50) | VCAM1KMT2AMEN1CA1CA12 | |
| SCHEMBL23117020 | 0.87 | VCAM1 (0.50) | VCAM1KMT2AMEN1CA1CA12 | |
| SCHEMBL16822422 | 0.87 | VCAM1 (0.50) | VCAM1KMT2AMEN1CA1CA12 | |
| SCHEMBL23532645 | 0.84 | CA1 (0.51) | VCAM1KMT2AMEN1CA1CA12 | |
| SCHEMBL1652853 | 0.83 | KMT2A (0.61) | VCAM1KMT2AMEN1CA1F2 | |
| SCHEMBL23117030 | 0.83 | KMT2A (0.50) | VCAM1KMT2AMEN1CA1CA12 | |
| SCHEMBL29768558 | 0.83 | KMT2A (0.50) | VCAM1KMT2AMEN1CA1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4427028-A2 | METHODS TO QUANTIFY AFFINITY AND SELECTIVITY OF COMPOUNDS FOR PROTEINS IN LIVING CELLS | Ohio State Innovation Foundation (US) | 2024-09-11 | — | — | EP | disclosed |
| US-20230146870-A1 | METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS | OHIO STATE INNOVATION FOUNDATION | 2023-05-11 | — | — | US | disclosed |
| US-20230146870-A1 | METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS | OHIO STATE INNOVATION FOUNDATION | 2023-05-11 | — | — | US | disclosed |
| US-20230146870-A1 | METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS | OHIO STATE INNOVATION FOUNDATION | 2023-05-11 | — | — | US | disclosed |
| WO-2023077162-A2 | METHODS TO QUANTIFY AFFINITY AND SELECTIVITY OF COMPOUNDS FOR PROTEINS IN LIVING CELLS | OHIO STATE INNOVATION FOUNDATION (US) | 2023-05-04 | — | — | WO | disclosed |