Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.44 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.35 |
| ▸ | VEGFA | P15692 | 1/20 | 0.34 |
| ▸ | GLP1R | P43220 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.31 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL10710731 | 0.80 | TSHR (0.65) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| Pentachloronitrobenzene SCHEMBL69247 | 0.77 | TSHR (0.62) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| Pentachloronitrobenzene SCHEMBL18438924 | 0.75 | TSHR (0.59) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL9776159 | 0.75 | TSHR (0.59) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL11227367 | 0.75 | TSHR (0.59) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL3476651 | 0.74 | TSHR (0.65) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL10985748 | 0.72 | TSHR (0.56) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL4706746 | 0.72 | TSHR (0.55) | TSHRALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL6261116 | 0.71 | NOTUM (0.40) | — | |
| SCHEMBL10493788 | 0.70 | TSHR (0.48) | TSHRALDH1A1TDP1CYP3A4HPGD |
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-4327036-A | FOR AROMATIC NUCLEUS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-04-27 | — | — | US | disclosed |