Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | MDM4 | O15151 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | RARG | P13631 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17446680 | 0.90 | MDM4 (0.47) | MDM4TP53KMT2A | |
| SCHEMBL30502990 | 0.90 | KMT2A (0.47) | MDM4TP53KMT2A | |
| SCHEMBL17446644 | 0.90 | HDAC1 (0.51) | PTPN1HDAC1HDAC2MDM4TP53 | |
| SCHEMBL31370796 | 0.90 | HDAC1 (0.51) | PTPN1HDAC1HDAC2MDM4TP53 | |
| SCHEMBL8695710 | 0.89 | MDM4 (0.45) | HDAC1HDAC2MDM4TP53KMT2A | |
| SCHEMBL18257485 | 0.88 | MDM4 (0.47) | MDM4TP53KMT2A | |
| SCHEMBL17446669 | 0.87 | HDAC1 (0.49) | PTPN1HDAC1HDAC2TNFCYP1A2 | |
| SCHEMBL29715771 | 0.87 | PTPN1 (0.46) | PTPN1HDAC1HDAC2MDM4TP53 | |
| SCHEMBL17446656 | 0.87 | PTPN1 (0.46) | PTPN1HDAC1HDAC2MDM4TP53 | |
| SCHEMBL17446719 | 0.85 | PTPN1 (0.48) | PTPN1HDAC1HDAC2MDM4TP53 |
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 |