Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 3/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11682956 | 0.84 | PTGS1 (0.39) | ALDH1A1TSHRHSD17B10TDP1F2 | |
| SCHEMBL11686361 | 0.83 | PTPN11 (0.37) | F2PRSS1PRSS2PRSS3PTGS1 | |
| Aniline SCHEMBL11683885 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10TDP1NT5E | |
| SCHEMBL11681974 | 0.80 | CYP2C9 (0.41) | ALDH1A1TSHRHSD17B10F2PRSS1 | |
| SCHEMBL11685478 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10TDP1F2 | |
| 3-Chloroaniline SCHEMBL11682537 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10TDP1F2 | |
| O-Tolylamine SCHEMBL11682944 | 0.77 | PHLPP2 (0.38) | ALDH1A1TSHRHSD17B10TDP1F2 | |
| SCHEMBL11297422 | 0.75 | PTGS2 (0.52) | ALDH1A1TSHRHSD17B10F2PRSS1 | |
| Aniline SCHEMBL11683907 | 0.74 | CYP2D6 (0.54) | ALDH1A1TSHRHSD17B10TDP1F2 | |
| SCHEMBL1803949 | 0.73 | POLB (0.46) | TSHRF2PRSS1PRSS2PRSS3 |
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 |