Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 4/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | NAT1 | P18440 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL17667417 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL14120596 | 0.87 | KAT6A (0.50) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL14120393 | 0.87 | CA12 (0.49) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL5890635 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL10408548 | 0.87 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL297270 | 0.85 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL14120619 | 0.83 | KAT6A (0.53) | PTGS2PTGES2KAT6APTGS1 | |
| SCHEMBL56599 | 0.79 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL11576892 | 0.79 | CA1 (0.42) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL9766543 | 0.79 | TSHR (0.54) | ALDH1A1HSD17B10TDP1CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1380572-A1 | POLYMERCAPTOPOLYPHENYLS AND METHOD FOR SYNTHESIS THEREOF | Japan Science and Technology Corporation (JP) | 2004-01-14 | — | — | EP | claimed |
| EP-1380572-A1 | POLYMERCAPTOPOLYPHENYLS AND METHOD FOR SYNTHESIS THEREOF | Japan Science and Technology Corporation (JP) | 2004-01-14 | — | — | EP | disclosed |