Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | SLC17A5 | Q9NRA2 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19177183 | 0.92 | PTPN1 (0.43) | HDAC1HDAC2SLC17A5PTPN1 | |
| SCHEMBL17446645 | 0.91 | HDAC1 (0.57) | HDAC1HDAC2IDO1SLC17A5HDAC3 | |
| SCHEMBL17446653 | 0.87 | PTPN1 (0.48) | HDAC1HDAC2PTPN1 | |
| SCHEMBL29480470 | 0.87 | CTSK (0.57) | PTPN1CTSLCTSBCTSK | |
| SCHEMBL17446656 | 0.87 | PTPN1 (0.46) | HDAC1HDAC2PTPN1 | |
| SCHEMBL29715771 | 0.87 | PTPN1 (0.46) | HDAC1HDAC2PTPN1 | |
| SCHEMBL17446669 | 0.86 | HDAC1 (0.49) | HDAC1HDAC2IDO1SLC17A5PTPN1 | |
| SCHEMBL23811018 | 0.86 | KMT2A (0.52) | HDAC1HDAC2CTSLCTSBCTSK | |
| SCHEMBL13716720 | 0.85 | SLC17A5 (0.53) | HDAC1HDAC2IDO1SLC17A5PTPN1 | |
| SCHEMBL29480487 | 0.84 | CTSK (0.51) | HDAC1HDAC2PTPN1CTSLCTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016008946-A1 | NOVEL COMPOUNDS | THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2016-01-21 | — | — | WO | disclosed |
| EP-2975046-A1 | Novel compounds | The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) | 2016-01-20 | — | — | EP | disclosed |