Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16418573 | 0.81 | NPSR1 (0.56) | ALDH1A1HPGDGAACYP1A2CA12 | |
| SCHEMBL29977899 | 0.81 | NPSR1 (0.56) | ALDH1A1HPGDGAACYP1A2CA12 | |
| SCHEMBL3800959 | 0.76 | GABRP (0.41) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL26039163 | 0.76 | PDPK1 (0.50) | ALDH1A1HPGDGAACYP1A2KDM4E | |
| SCHEMBL30793018 | 0.76 | PDPK1 (0.50) | ALDH1A1HPGDGAACYP1A2KDM4E | |
| SCHEMBL31093865 | 0.73 | HCRTR1 (0.34) | ALDH1A1HPGDGAA | |
| Lithium Ion SCHEMBL17781253 | 0.72 | ALDH1A1 (0.34) | ALDH1A1HPGDGAACYP1A2CA12 | |
| SCHEMBL13144986 | 0.71 | NPSR1 (0.54) | ALDH1A1HPGDGAACYP1A2KDM4E | |
| SCHEMBL20169653 | 0.69 | KDM4E (0.30) | ALDH1A1HPGDGAAKDM4EHSD17B10 | |
| SCHEMBL6617911 | 0.67 | NPSR1 (0.48) | ALDH1A1HPGDGAAKDM4EHSD17B10 |
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-9975910-B2 | Hetero-fused cyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-05-22 | — | — | US | disclosed |