Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 3/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11682231 | 0.87 | ALDH1A1 (0.54) | ALDH1A1TDP1SMN1; SMN2KDM4EHPGD | |
| O-Tolylamine SCHEMBL11683440 | 0.82 | CYP3A4 (0.43) | ALDH1A1TDP1KDM4EHPGD | |
| SCHEMBL11684369 | 0.79 | TSHR (0.44) | ALDH1A1TSHRHPGD | |
| Aniline SCHEMBL11686945 | 0.78 | CYP2D6 (0.41) | ALDH1A1TDP1SMN1; SMN2TSHRKDM4E | |
| Sulfuric Acid SCHEMBL31071037 | 0.77 | ALDH1A1 (0.75) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| Sulfuric Acid SCHEMBL5701214 | 0.77 | ALDH1A1 (0.75) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| SCHEMBL11683650 | 0.76 | FFAR4 (0.34) | TDP1NOS3NOS1NOS2 | |
| SCHEMBL6410217 | 0.76 | ALDH1A1 (0.72) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| SCHEMBL11682722 | 0.72 | PTGS1 (0.47) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| SCHEMBL11684241 | 0.71 | CYP2D6 (0.33) | ALDH1A1ADRA2BTSHRHPGDLMNA |
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 |