Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226409 | 0.87 | NPC1 (0.47) | NPC1CA1CA2CA9CA12 | |
| SCHEMBL8539352 | 0.85 | CA1 (0.47) | NPC1CA1CA2CA9KDM4E | |
| SCHEMBL9139053 | 0.82 | TSHR (0.46) | NPC1CA1CA2CA9CA12 | |
| SCHEMBL9139410 | 0.80 | ALDH1A1 (0.49) | PDK2KDM4EALDH1A1HSD17B10POLB | |
| SCHEMBL27719622 | 0.80 | CA1 (0.49) | NPC1CA1CA2CA9CA12 | |
| SCHEMBL9139455 | 0.80 | CA12 (0.40) | NPC1CA1CA2CA9CA12 | |
| SCHEMBL3765284 | 0.79 | F2 (0.43) | CA1CA2CA9CA12MMP1 | |
| SCHEMBL7029099 | 0.78 | NPC1 (0.44) | NPC1CA1CA2CA9CA12 | |
| SCHEMBL7023390 | 0.77 | NPC1 (0.43) | NPC1CA1CA2CA9CA12 | |
| SCHEMBL7034505 | 0.77 | NPC1 (0.43) | NPC1CA1CA2CA9CA12 |
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-5463081-A | Chemical intermediates | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | claimed |