Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 3/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11028786 | 0.94 | TLR4 (0.40) | TLR4PKMHTTMEN1KMT2A | |
| SCHEMBL11029534 | 0.93 | CYP1A2 (0.43) | TLR4ABL1RIN1MAPTCYP1A2 | |
| SCHEMBL11033011 | 0.88 | MEN1 (0.43) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11026807 | 0.87 | TLR4 (0.46) | TLR4MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11029323 | 0.87 | PKM (0.42) | TLR4MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11067501 | 0.85 | CYP1A2 (0.44) | TLR4ABL1RIN1MAPTCYP1A2 | |
| SCHEMBL11067506 | 0.85 | CYP1A2 (0.44) | TLR4ABL1RIN1MAPTCYP1A2 | |
| SCHEMBL11034036 | 0.84 | POLB (0.42) | TLR4MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11028194 | 0.84 | ABL1 (0.41) | ABL1RIN1MAPTPOLBLMNA | |
| SCHEMBL10479841 | 0.84 | CYP2C9 (0.43) | TLR4ABL1RIN1MAPTCYP1A2 |
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-4432885-A | Decalins | HOFFMANN-LA ROCHE INC. (US) | 1984-02-21 | — | — | US | disclosed |