Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 2/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ATIC | P31939 | 1/20 | 0.34 |
| ▸ | SUMO2 | P61956 | 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 | |
|---|---|---|---|---|
| SCHEMBL11683404 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10TDP1CA2 | |
| SCHEMBL11683198 | 0.84 | TP53 (0.41) | ALDH1A1TSHRHSD17B10CA2CA12 | |
| SCHEMBL11679955 | 0.83 | TSHR (0.37) | ALDH1A1TSHRHSD17B10TDP1CA2 | |
| 3-Chloroaniline SCHEMBL11682537 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10TDP1PKM | |
| 3-Chloroaniline SCHEMBL11685285 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TSHRHSD17B10TDP1CA2 | |
| Aniline SCHEMBL11683885 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10TDP1NT5E | |
| SCHEMBL11684226 | 0.75 | PTPN11 (0.39) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL11684850 | 0.75 | TP53 (0.41) | ALDH1A1TSHRHSD17B10CA2CA12 | |
| SCHEMBL11685849 | 0.73 | TSHR (0.45) | ALDH1A1TSHRHSD17B10TDP1CA2 | |
| Aniline SCHEMBL11685584 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10TDP1CA2 |
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 |