Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8301745 | 0.82 | ALDH1A1 (0.54) | ALDH1A1BRD4LMNAPKMMAPT | |
| SCHEMBL8304689 | 0.75 | ALDH1A1 (0.52) | ALDH1A1BRD4CASP3MAPTGAA | |
| SCHEMBL9101209 | 0.73 | TP53 (0.54) | ALDH1A1BRD4CASP3LMNAPKM | |
| SCHEMBL9369241 | 0.73 | BRD4 (0.50) | ALDH1A1BRD4CASP3LMNAPKM | |
| SCHEMBL8790523 | 0.70 | ALDH1A1 (0.79) | ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL8790081 | 0.70 | ALDH1A1 (0.71) | ALDH1A1BRD4MAPTKDM4EGAA | |
| SCHEMBL9431569 | 0.70 | ALDH1A1 (0.57) | ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL17667422 | 0.70 | CASP3 (0.59) | ALDH1A1BRD4CASP3LMNAPKM | |
| SCHEMBL8936638 | 0.69 | BRD4 (0.44) | ALDH1A1BRD4CASP3LMNAPKM | |
| SCHEMBL170913 | 0.69 | CASP3 (0.85) | ALDH1A1CASP3LMNAPKMMAPT |
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-5532358-A | Method for preparing alkyl-5,11-dihydro-6h-dipyrido[3,2-B:2',3'-E] [1,4] diazepin-6-ones | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1996-07-02 | — | — | US | disclosed |