Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
| ▸ | ABCB1 | P08183 | 18/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.62 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.62 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.62 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.62 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL31619332 | 0.89 | KCNH2 (0.85) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| SCHEMBL31619331 | 0.85 | KCNH2 (0.79) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| N-Depropyl-Propaphenone SCHEMBL15750362 | 0.84 | KCNH2 (1.00) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| N-Depropyl-Propaphenone SCHEMBL31619339 | 0.84 | KCNH2 (1.00) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| SCHEMBL28249508 | 0.81 | ABCB1 (0.64) | KCNH2ABCB1TSHR | |
| SCHEMBL15750367 | 0.81 | ABCB1 (0.77) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| SCHEMBL29439280 | 0.80 | ABCB1 (1.00) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| SCHEMBL1331282 | 0.79 | ABCB1 (1.00) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| SCHEMBL1331632 | 0.78 | MEN1 (0.98) | KCNH2ABCB1TSHRLMNACYP1A2 | |
| Propafenone SCHEMBL27865 | 0.77 | ABCB1 (1.00) | KCNH2ABCB1TSHRLMNACYP1A2 |
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-1778252-A2 | NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS | Barbeau, Donald L. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006020573-A2 | NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS | BARBEAU DONALD L (US) | 2006-02-23 | — | — | WO | disclosed |