Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7807396 | 0.78 | CNR2 (0.47) | HPGDALDH1A1MAPTGLAACHE | |
| SCHEMBL5503119 | 0.75 | KDM4E (0.46) | HPGDALDH1A1MAPTGLAACHE | |
| SCHEMBL29723103 | 0.70 | CNR2 (0.49) | HPGDALDH1A1MAPTGLAACHE | |
| SCHEMBL873852 | 0.70 | CNR2 (0.49) | HPGDALDH1A1MAPTGLAACHE | |
| SCHEMBL15346405 | 0.69 | MAPT (0.48) | HPGDALDH1A1MAPTGLAACHE | |
| Hydrochloric Acid SCHEMBL4591179 | 0.68 | CNR2 (0.47) | HPGDALDH1A1MAPTGLAACHE | |
| Hydrochloric Acid SCHEMBL16825201 | 0.68 | CNR2 (0.47) | HPGDALDH1A1MAPTGLAACHE | |
| Acridine SCHEMBL29526257 | 0.67 | ALDH1A1 (0.94) | HPGDALDH1A1MAPTGLAACHE | |
| SCHEMBL8701501 | 0.65 | MAPT (0.48) | HPGDALDH1A1MAPTGLAACHE | |
| SCHEMBL3293342 | 0.65 | ADORA2A (0.41) | HPGDALDH1A1MAPTKDM4EHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091944-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-04-18 | — | — | EP | claimed |
| WO-2000000479-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-01-06 | — | — | WO | claimed |
| EP-1091944-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000000479-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |