Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | LTA4H | P09960 | 3/20 | 0.50 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9368539 | 0.99 | KCNH2 (0.54) | KCNH2KDM4EALDH1A1LMNALTA4H | |
| SCHEMBL9527422 | 0.93 | KDM4E (0.54) | KCNH2KDM4EALDH1A1LMNALTA4H | |
| Hydrochloric Acid SCHEMBL9527542 | 0.92 | KDM4E (0.53) | KCNH2KDM4EALDH1A1LMNALTA4H | |
| SCHEMBL9368505 | 0.91 | KCNH2 (0.55) | KCNH2KDM4ELTA4HTMEM97SIGMAR1 | |
| SCHEMBL9368468 | 0.91 | LTA4H (0.58) | KCNH2LTA4HTMEM97SIGMAR1CARM1 | |
| Hydrochloric Acid SCHEMBL9372841 | 0.90 | LTA4H (0.57) | KCNH2LTA4HTMEM97SIGMAR1CARM1 | |
| Oxalic Acid SCHEMBL9371181 | 0.86 | KDM4E (0.58) | KCNH2KDM4EALDH1A1LMNALTA4H | |
| SCHEMBL9368427 | 0.85 | KCNH2 (0.48) | KCNH2LTA4HSIGMAR1CARM1PRMT6 | |
| SCHEMBL9368423 | 0.85 | KCNH2 (0.48) | KCNH2LTA4HSIGMAR1CARM1PRMT6 | |
| SCHEMBL5076788 | 0.84 | KDM4E (0.48) | KCNH2KDM4EALDH1A1LMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992022527-A2 | 3-SUBSTITUTED PYRROLIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1992-12-23 | — | — | WO | disclosed |