Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL658096 | 0.86 | ALDH1A1 (0.36) | CYP1A2CYP2C9CYP2C19MAPTRECQL | |
| SCHEMBL657711 | 0.82 | MAPT (0.38) | CYP1A2CYP2C9CYP2C19MAPTRECQL | |
| SCHEMBL6981092 | 0.76 | DRD3 (0.34) | CYP2C9MAPTTP53TSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL6982794 | 0.75 | KMT2A (0.35) | CYP2C9MAPTTP53TSHRNPSR1 | |
| SCHEMBL8716546 | 0.75 | BACE1 (0.34) | — | |
| SCHEMBL6985365 | 0.74 | LMNA (0.42) | ACHEALDH1A1TP53HPGDSMN1; SMN2 | |
| SCHEMBL6983488 | 0.74 | DRD2 (0.41) | CYP2C9MAPTALDH1A1TP53TSHR | |
| Hydrochloric Acid SCHEMBL6979044 | 0.74 | LMNA (0.41) | MAPTACHEALDH1A1TP53TSHR | |
| SCHEMBL6984897 | 0.74 | DRD3 (0.38) | MAPTMEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL8712646 | 0.73 | ICMT (0.30) | — |
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 |