Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.60 |
| ▸ | YAP1 | P46937 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18594835 | 1.00 | KDM4E (0.70) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL7065164 | 1.00 | KDM4E (0.70) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL16599217 | 0.95 | KDM4E (0.65) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL22445040 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL13280602 | 0.85 | ALDH1A1 (0.57) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL12415572 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL12415575 | 0.84 | KDM4E (0.55) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL13280329 | 0.84 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDNPSR1 | |
| SCHEMBL22097620 | 0.84 | ALDH1A1 (0.60) | KDM4EALDH1A1HSD17B10HPGDKMT2A | |
| SCHEMBL16060183 | 0.84 | TDP1 (0.60) | KDM4EALDH1A1HSD17B10HPGDKMT2A |
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-9757369-B2 | Heterocyclic GSK-3 allosteric modulators | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2017-09-12 | — | — | US | disclosed |