Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 16/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.40 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Etafenone SCHEMBL77987 | 0.81 | ABCB1 (0.67) | ABCB1TSHRALDH1A1LMNAKDM4E | |
| Etafenone SCHEMBL29406308 | 0.81 | ABCB1 (0.67) | ABCB1TSHRALDH1A1LMNAKDM4E | |
| Etafenone SCHEMBL219823 | 0.80 | ABCB1 (0.66) | ABCB1TSHRALDH1A1LMNAKDM4E | |
| Etafenone SCHEMBL29846308 | 0.80 | ABCB1 (0.66) | ABCB1TSHRALDH1A1LMNAKDM4E | |
| Etafenone SCHEMBL1651223 | 0.79 | ABCB1 (0.65) | ABCB1TSHRALDH1A1LMNAKDM4E | |
| Bencyclane SCHEMBL64881 | 0.76 | AQP3 (0.44) | ALDH1A1KDM4ECYP1A2CYP2D6SLC6A2 | |
| Bencyclane SCHEMBL220903 | 0.75 | HRH1 (0.52) | ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| Bencyclane SCHEMBL1568812 | 0.75 | HRH1 (0.52) | ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| Bencyclane SCHEMBL20505617 | 0.74 | HRH1 (0.51) | ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| Etafenone SCHEMBL13724598 | 0.70 | ABCB1 (0.53) | ABCB1TSHRALDH1A1LMNAKDM4E |
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-1993541-A2 | ANTIHYPERTENSIVE THERAPY | Gilead Colorado, Inc. (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007098387-A2 | ANTIHYPERTENSIVE THERAPY | GILEAD COLORADO, INC. (US) | 2007-08-30 | — | — | WO | disclosed |