Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21986514 | 0.85 | TSHR (0.64) | TP53TSHRESR1THRATHRB | |
| SCHEMBL81866 | 0.81 | TP53 (1.00) | TP53TSHR | |
| SCHEMBL16880397 | 0.81 | TP53 (1.00) | TP53TSHR | |
| SCHEMBL13453994 | 0.81 | TP53 (1.00) | TP53TSHR | |
| SCHEMBL17550074 | 0.80 | TSHR (0.61) | TP53TSHRSLC6A2SLC6A3TAAR1 | |
| SCHEMBL225582 | 0.79 | TSHR (0.66) | TP53TSHRESR1HTR2AMEN1 | |
| SCHEMBL31412811 | 0.79 | TSHR (0.66) | TP53TSHRESR1HTR2AMEN1 | |
| SCHEMBL23248048 | 0.79 | TP53 (0.47) | TP53TSHRESR1THRATHRB | |
| SCHEMBL29671366 | 0.79 | TP53 (0.47) | TP53TSHRESR1THRATHRB | |
| SCHEMBL4447719 | 0.78 | TP53 (0.74) | TP53TSHRESR1TAAR1MEN1 |
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-4202894-A | AGRICULTURE | HOFFMANN-LA ROCHE INC. (US) | 1980-05-13 | — | — | US | disclosed |