Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINE1 | P05121 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11520364 | 0.94 | SERPINE1 (0.49) | SERPINE1ALDH1A1MAPTTSHRCA12 | |
| SCHEMBL10693591 | 0.85 | ALDH1A1 (0.60) | ALDH1A1MAPTTSHRCA12CA1 | |
| SCHEMBL11517824 | 0.80 | CA12 (0.47) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL11685605 | 0.76 | VCAM1 (0.59) | ALDH1A1MAPTTSHRCA12CA1 | |
| SCHEMBL11517613 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11518719 | 0.74 | ALDH1A1 (0.43) | SERPINE1ALDH1A1TSHRCA12CA1 | |
| SCHEMBL5461567 | 0.73 | ALDH1A1 (0.65) | ALDH1A1MAPTTSHRVCAM1KDM4E | |
| SCHEMBL11682894 | 0.72 | CYP2D6 (0.52) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL10694078 | 0.71 | VCAM1 (0.65) | ALDH1A1MAPTTSHRVCAM1KDM4E | |
| SCHEMBL11685492 | 0.71 | GAA (0.43) | ALDH1A1MAPTTSHRVCAM1KDM4E |
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 |