Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11209160 | 1.00 | ABL1 (0.37) | ABL1RIN1TP53ALDH1A1CYP1A2 | |
| SCHEMBL11209617 | 0.94 | TSHR (0.38) | TP53ALDH1A1CES2CES1HTT | |
| SCHEMBL11209622 | 0.94 | TSHR (0.38) | TP53ALDH1A1CES2CES1HTT | |
| SCHEMBL11067501 | 0.88 | CYP1A2 (0.44) | ABL1RIN1TP53CYP1A2CYP2D6 | |
| SCHEMBL11067506 | 0.88 | CYP1A2 (0.44) | ABL1RIN1TP53CYP1A2CYP2D6 | |
| SCHEMBL11213289 | 0.84 | TLR4 (0.33) | TLR4LMNA | |
| SCHEMBL11213288 | 0.84 | TLR4 (0.33) | TLR4LMNA | |
| SCHEMBL11072203 | 0.83 | ABL1 (0.38) | ABL1RIN1TP53ALDH1A1POLB | |
| SCHEMBL11072154 | 0.83 | ABL1 (0.38) | ABL1RIN1TP53ALDH1A1POLB | |
| SCHEMBL11029152 | 0.81 | TLR4 (0.42) | ABL1RIN1TP53ALDH1A1CYP1A2 |
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-4391731-A | Hydrogenated naphthalenes | HOFFMANN-LA ROCHE INC. (US) | 1983-07-05 | — | — | US | disclosed |