Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL9803811 | 0.88 | TSHR (0.40) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL29442077 | 0.85 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TSHR | |
| Thiocyanic Acid SCHEMBL10605673 | 0.84 | TSHR (0.40) | CYP3A4TDP1ESR1ESR2TSHR | |
| Nitrogen SCHEMBL5074218 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9803750 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Bromide SCHEMBL9803721 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11017606 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Iodide SCHEMBL9803488 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL27343 | 0.83 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL6705573 | 0.80 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E |
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-5037812-A | Anticarcinogenic agents; animals | SMITHKLINE BECKMAN CORPORATION (US) | 1991-08-06 | — | — | US | disclosed |