Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.47 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348245 | 0.86 | FFAR1 (0.42) | FFAR1ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL7363729 | 0.82 | KCNH2 (0.50) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL7363865 | 0.82 | KCNH2 (0.47) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL7365992 | 0.80 | KCNH2 (0.46) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL7360601 | 0.78 | KCNH2 (0.44) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL7462970 | 0.77 | KCNH2 (0.43) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL7360603 | 0.77 | KCNH2 (0.45) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL8350250 | 0.76 | KCNH2 (0.46) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL7462980 | 0.76 | KCNH2 (0.44) | KCNH2KCNJ1CA12CA1CA2 | |
| SCHEMBL8343504 | 0.74 | KCNH2 (0.44) | KCNH2KCNJ1CA12CA1CA2 |
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-5942544-A | α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-08-24 | — | — | US | disclosed |