Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680240 | 1.00 | CYP1A2 (0.40) | CYP1A2TLR4ALDH1A1KDM4EMEN1 | |
| SCHEMBL15526527 | 0.94 | CYP1A2 (0.46) | CYP1A2TLR4ALDH1A1KDM4EMEN1 | |
| SCHEMBL16582914 | 0.93 | CYP1A2 (0.45) | CYP1A2TLR4ALDH1A1MEN1HPGD | |
| SCHEMBL3383889 | 0.88 | NOS3 (0.34) | CYP1A2MAPTNOS1NOS2NOS3 | |
| SCHEMBL2691102 | 0.83 | — | — | |
| SCHEMBL16581444 | 0.81 | CYP1A2 (0.40) | CYP1A2TLR4ALDH1A1KDM4EMEN1 | |
| SCHEMBL15526526 | 0.79 | MAPT (0.32) | MEN1MAPTKMT2ANOS1NOS2 | |
| SCHEMBL2691445 | 0.77 | CYP1A2 (0.55) | CYP1A2ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL19976638 | 0.75 | CYP1A2 (0.53) | CYP1A2ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL2690939 | 0.75 | CYP1A2 (0.53) | CYP1A2ALDH1A1KDM4EMEN1MAPT |
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-5134238-A | Chiral copper amine complexes | BRIGHAM YOUNG UNIVERSITY (US) | 1992-07-28 | — | — | US | disclosed |