Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.31 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.31 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.31 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936624 | 0.78 | HDAC3 (0.40) | NR1H2NR1H3TP53ALDH1A1HDAC3 | |
| SCHEMBL8936600 | 0.76 | HDAC3 (0.43) | NR1H2NR1H3TP53KDM4EALDH1A1 | |
| SCHEMBL8936579 | 0.71 | CASP3 (0.44) | KDM4EALDH1A1HDAC3TUBB4ATUBB | |
| SCHEMBL4901773 | 0.67 | CTSG (0.40) | TP53ALDH1A1 | |
| SCHEMBL8936669 | 0.67 | TP53 (0.46) | TP53 | |
| SCHEMBL16065742 | 0.64 | MAPK7 (0.45) | NR1H2NR1H3KDM4EALDH1A1 | |
| SCHEMBL7955434 | 0.64 | P2RX4 (0.45) | NR1H2NR1H3KDM4EALDH1A1HDAC3 | |
| SCHEMBL4913380 | 0.63 | KDM4E (0.41) | TP53KDM4EALDH1A1 | |
| SCHEMBL1390960 | 0.60 | TDP1 (0.39) | ALDH1A1 | |
| SCHEMBL9853429 | 0.60 | NR1H2 (0.47) | NR1H2NR1H3TP53KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5547951-A | ENZYME INHIBITORS; AIDS | BOEHRINGER INGELHEIM PHARAMCEUTICALS, INC. (US) | 1996-08-20 | — | — | US | 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 |