Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6980783 | 0.88 | CACNA2D1 (0.43) | — | |
| SCHEMBL6983252 | 0.87 | CACNA1B (0.36) | OPRK1 | |
| Hydrochloric Acid SCHEMBL6984864 | 0.82 | OPRL1 (0.38) | CYP2D6OPRK1 | |
| SCHEMBL6977659 | 0.82 | L3MBTL1 (0.45) | TSHRALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL6981795 | 0.80 | POLB (0.47) | TSHRALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL6974103 | 0.80 | NPC1 (0.48) | TSHRALDH1A1KDM4ENPSR1HTT | |
| SCHEMBL6984706 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6984801 | 0.79 | SMN1; SMN2 (0.43) | TSHRALDH1A1LMNANPSR1MEN1 | |
| SCHEMBL6976601 | 0.77 | KCNA3 (0.41) | — | |
| SCHEMBL6983932 | 0.77 | CHRM2 (0.43) | LMNAHTTCYP2D6CHRM1OPRK1 |
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-0923575-B1 | CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-12 | — | — | EP | disclosed |
| US-6172085-B1 | CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |