Predicted protein targets (top 16)
| 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 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL6980780 | 0.88 | CACNA2D1 (0.43) | TSHRGAA | |
| SCHEMBL6983244 | 0.86 | CACNA1B (0.35) | — | |
| SCHEMBL6971808 | 0.84 | HTR7 (0.40) | — | |
| SCHEMBL6976114 | 0.84 | USP2 (0.32) | TSHRALDH1A1KDM4ELMNANPSR1 | |
| SCHEMBL9698183 | 0.83 | OPRM1 (0.38) | ALDH1A1LMNANPSR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8713715 | 0.82 | MEN1 (0.38) | ALDH1A1LMNANPSR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6984860 | 0.81 | OPRL1 (0.37) | CYP2D6 | |
| SCHEMBL6981792 | 0.80 | POLB (0.47) | TSHRALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL6974100 | 0.80 | NPC1 (0.48) | TSHRALDH1A1KDM4ENPSR1HTT | |
| Hydrochloric Acid SCHEMBL6982801 | 0.80 | SIGMAR1 (0.41) | LMNAMEN1KMT2ACYP2C9CYP2D6 |
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 |