Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11684033 | 0.86 | SENP3 (0.44) | PTGS1ALDH1A1ADRA2BTDP1POLB | |
| SCHEMBL11685478 | 0.84 | ALDH1A1 (0.44) | PTGS1ALDH1A1ADRA2BTDP1F2 | |
| O-Tolylamine SCHEMBL11687186 | 0.82 | CYP2D6 (0.45) | ALDH1A1TDP1POLBCYP2D6TSHR | |
| SCHEMBL11158604 | 0.82 | TSHR (0.58) | PTGS1ALDH1A1ADRA2BTDP1F2 | |
| SCHEMBL3798956 | 0.81 | ALDH1A1 (0.62) | PTGS1ALDH1A1ADRA2BTDP1POLB | |
| Aniline SCHEMBL11683907 | 0.79 | CYP2D6 (0.54) | ALDH1A1TDP1POLBCYP2D6F2 | |
| SCHEMBL11682708 | 0.76 | POLB (0.42) | ALDH1A1POLBCYP2D6TSHRSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL31071037 | 0.76 | ALDH1A1 (0.75) | PTGS1ALDH1A1ADRA2BTDP1POLB | |
| Sulfuric Acid SCHEMBL5701214 | 0.76 | ALDH1A1 (0.75) | PTGS1ALDH1A1ADRA2BTDP1POLB | |
| Aniline SCHEMBL10387337 | 0.76 | ALDH1A1 (0.50) | PTGS1ALDH1A1ADRA2BTDP1CYP2D6 |
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 |