Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | GBA1 | P04062 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MC4R | P32245 | 2/20 | 0.39 |
| ▸ | RAD52 | P43351 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4838305 | 0.82 | CES2 (0.43) | SLC2A1ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL4838301 | 0.82 | CES2 (0.43) | SLC2A1ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL9130951 | 0.77 | CYP3A4 (0.43) | KDM4EALDH1A1POLBHDAC3HDAC1 | |
| SCHEMBL9130947 | 0.77 | CYP3A4 (0.43) | KDM4EALDH1A1POLBHDAC3HDAC1 | |
| Dodecane SCHEMBL28192320 | 0.74 | SMN1; SMN2 (0.56) | KDM4EALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL7455813 | 0.74 | PRSS1 (0.40) | ALDH1A1HDAC3HDAC1HDAC2MAPK1 | |
| SCHEMBL7455808 | 0.74 | PRSS1 (0.40) | ALDH1A1HDAC3HDAC1HDAC2MAPK1 | |
| SCHEMBL7455051 | 0.71 | HTR3A (0.41) | KDM4EALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL7455048 | 0.71 | HTR3A (0.41) | KDM4EALDH1A1MEN1KMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL5758750 | 0.69 | KCNH2 (0.41) | SLC2A1ALDH1A1MEN1KMT2AKCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4528382-A | Imidoyl substituted pyrroles | MCNEILAB, INC. (US) | 1985-07-09 | — | — | US | disclosed |