Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27964413 | 0.85 | CA12 (0.52) | LMNAALDH1A1CYP3A4CA12CA2 | |
| SCHEMBL28871071 | 0.83 | EPHX1 (0.53) | LMNAALDH1A1CYP3A4CA12CA2 | |
| SCHEMBL18405558 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CA12CA2CA9GAA | |
| SCHEMBL2542923 | 0.81 | CYP1A2 (0.47) | LMNACYP3A4CA12CA2GAA | |
| SCHEMBL29274318 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CA12CA2CA9GAA | |
| SCHEMBL28384785 | 0.80 | MGLL (0.51) | LMNAALDH1A1CA12CA2CA9 | |
| SCHEMBL24465215 | 0.79 | CYP3A4 (0.48) | LMNAALDH1A1CYP3A4CA12CA2 | |
| SCHEMBL28588637 | 0.79 | NPC1 (0.49) | ALDH1A1CA12CA2CA9GAA | |
| SCHEMBL4770218 | 0.78 | LMNA (0.52) | LMNAALDH1A1CYP3A4CA12CA2 | |
| SCHEMBL6440907 | 0.77 | ALDH1A1 (0.45) | LMNAALDH1A1CYP3A4CA12CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101189229-A | Synthesis of avrainvillamide, stephacidin B, and analogues thereof | HARVARD COLLEGE (US) | 2008-05-28 | — | — | CN | disclosed |
| EP-0951284-A4 | PHENYLETHYLAMINE DERIVATIVES | TEVA PHARMA (IL) | 2002-03-20 | — | — | EP | disclosed |
| EP-0951284-A1 | PHENYLETHYLAMINE DERIVATIVES | TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) | 1999-10-27 | — | — | EP | disclosed |
| WO-1998026775-A1 | PHENYLETHYLAMINE DERIVATIVES | TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) | 1998-06-25 | — | — | WO | disclosed |