Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.40 |
| ▸ | TUBB | P07437 | 3/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.40 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936600 | 0.88 | HDAC3 (0.43) | HDAC3TUBB4ATUBBTUBA3CHDAC4 | |
| SCHEMBL8936579 | 0.81 | CASP3 (0.44) | HDAC3TUBB4ATUBBTUBA3CHDAC4 | |
| SCHEMBL8936617 | 0.78 | NR1H2 (0.33) | HDAC3TUBB4ATUBBTUBA3CHDAC4 | |
| SCHEMBL9853427 | 0.71 | TP53 (0.48) | HDAC3TUBB4ATUBBTUBA3CHDAC4 | |
| SCHEMBL9853439 | 0.70 | TP53 (0.42) | TP53MAPTLMNATHRBSMN1; SMN2 | |
| SCHEMBL24195506 | 0.68 | ALDH1A1 (0.55) | MAPTSMN1; SMN2HSD17B10PLIN1ALDH1A1 | |
| SCHEMBL4901773 | 0.68 | CTSG (0.40) | TP53L3MBTL1MAPTLMNASMN1; SMN2 | |
| SCHEMBL8936630 | 0.68 | TP53 (0.51) | TP53MAPTLMNATHRBPOLB | |
| SCHEMBL8936730 | 0.67 | TP53 (0.53) | TP53MAPTTHRBPOLBALDH1A1 | |
| SCHEMBL16065742 | 0.65 | MAPK7 (0.45) | NR1H2NR1H3ALDH1A1HPGD |
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-0417534-A1 | Pyrido[2,3-b][1,4]benzoxazepin (and thiazepin)-6(5H)-ones and thiones and their use in the prevention or treatment of AIDS | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1991-03-20 | — | — | EP | claimed |
| JP-3163020-A | — | — | None | — | — | JP | disclosed |
| US-5547951-A | ENZYME INHIBITORS; AIDS | BOEHRINGER INGELHEIM PHARAMCEUTICALS, INC. (US) | 1996-08-20 | — | — | US | disclosed |
| JP-H03163020-A | PYRID(2,3-B)(1,4)BENZOXAZEPIN (AND THIAZEPIN)-6-(5H)-ONE AND -THIONE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING AIDS INCLUDING THE SAME | BOEHRINGER INGELHEIM PHARMACEUT INC | 1991-07-15 | — | — | JP | disclosed |
| EP-0417534-A1 | Pyrido[2,3-b][1,4]benzoxazepin (and thiazepin)-6(5H)-ones and thiones and their use in the prevention or treatment of AIDS | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1991-03-20 | — | — | EP | disclosed |