Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.36 |
| ▸ | TUBB | P07437 | 2/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
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 | 0.81 | HDAC3 (0.40) | ALDH1A1MAPTLMNAPOLBSMN1; SMN2 | |
| SCHEMBL8936600 | 0.79 | HDAC3 (0.43) | CASP3ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9101209 | 0.73 | TP53 (0.54) | CASP3ALDH1A1MAPTLMNAPKM | |
| SCHEMBL8936617 | 0.71 | NR1H2 (0.33) | ALDH1A1HDAC3TUBB4ATUBBTUBA3C | |
| SCHEMBL8936654 | 0.69 | TP53 (0.45) | ALDH1A1MAPTLMNAKMT2APOLB | |
| SCHEMBL8936648 | 0.69 | TP53 (0.45) | ALDH1A1MAPTLMNAKMT2APOLB | |
| SCHEMBL31377051 | 0.68 | CASP3 (0.85) | CASP3ALDH1A1MAPTLMNAPKM | |
| SCHEMBL170913 | 0.68 | CASP3 (0.85) | CASP3ALDH1A1MAPTLMNAPKM | |
| SCHEMBL4901773 | 0.68 | CTSG (0.40) | CASP3ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL8936630 | 0.68 | TP53 (0.51) | MAPTLMNAMEN1KMT2APOLB |
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 |