Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL11686099 | 0.96 | TSHR (0.45) | TSHRTP53CYP2C9HTR4ALDH1A1 | |
| SCHEMBL11685019 | 0.91 | TSHR (0.47) | TSHRTP53CYP2C9ALDH1A1ALOX15 | |
| SCHEMBL11682896 | 0.84 | TSHR (0.41) | TSHRALDH1A1ALOX15HPGDCYP3A4 | |
| 3-Chloroaniline SCHEMBL11684350 | 0.83 | ALDH1A1 (0.45) | TSHRTP53ALDH1A1ALOX15HPGD | |
| SCHEMBL11686664 | 0.80 | CYP2D6 (0.31) | — | |
| 3-Chloroaniline SCHEMBL11688132 | 0.79 | ALDH1A1 (0.46) | TSHRTP53ALDH1A1ALOX15HPGD | |
| SCHEMBL11683545 | 0.76 | CYP2D6 (0.31) | — | |
| Aniline SCHEMBL11682922 | 0.75 | CYP2D6 (0.39) | TSHRALDH1A1HSD17B10SMN1; SMN2CA2 | |
| SCHEMBL11683803 | 0.75 | TSHR (0.41) | TSHRTP53CYP2C9ALDH1A1ALOX15 | |
| SCHEMBL11684369 | 0.74 | TSHR (0.44) | TSHRALDH1A1ALOX15HPGDCYP3A4 |
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-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |