Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.85 |
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27848238 | 0.92 | HPGD (0.71) | HPGDESR1LMNATSHRALOX12 | |
| SCHEMBL1727115 | 0.92 | HPGD (1.00) | HPGDESR1LMNATSHRACHE | |
| SCHEMBL115791 | 0.87 | ESR1 (0.71) | HPGDESR1TSHRALOX12GAA | |
| SCHEMBL27664138 | 0.85 | HPGD (0.61) | HPGDESR1LMNATSHRALOX12 | |
| SCHEMBL83200 | 0.85 | HPGD (0.61) | HPGDESR1LMNATSHRALOX12 | |
| SCHEMBL17928368 | 0.85 | HPGD (0.61) | HPGDESR1LMNATSHRALOX12 | |
| SCHEMBL4402281 | 0.85 | HPGD (0.61) | HPGDESR1LMNATSHRALOX12 | |
| SCHEMBL4403188 | 0.85 | HPGD (0.61) | HPGDESR1LMNATSHRALOX12 | |
| SCHEMBL25435946 | 0.84 | ESR1 (0.68) | HPGDESR1TSHRALOX12GAA | |
| SCHEMBL30529850 | 0.83 | HPGD (0.58) | HPGDESR1LMNATSHRALOX12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017144393-A1 | 2-SUBSTITUTED 5-(PHENYL)-1,2-DIHYDRO-3H-3-BENZAZEPINE-3-CARBOXAMIDE DERIVATIVES AS BRD4 INHIBITORS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-08-31 | — | — | WO | disclosed |
| EP-1751170-A1 | CHIRAL PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005118603-A1 | CHIRAL PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2005-12-15 | — | — | WO | disclosed |