Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2549430 | 1.00 | MAPT (0.50) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1246190 | 1.00 | MAPT (0.50) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2700090 | 0.98 | LTA4H (0.48) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1585426 | 0.98 | LTA4H (0.48) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25923107 | 0.98 | LTA4H (0.48) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2550009 | 0.98 | LTA4H (0.48) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2542574 | 0.92 | BLM (0.50) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| Ornithine Aketoglutarate SCHEMBL2323479 | 0.84 | GSR (0.53) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| Ornithine SCHEMBL2323483 | 0.84 | GSR (0.53) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17583510 | 0.83 | ACE2 (0.44) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 |
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-2334697-A1 | PEPTIDOMIMETIC MACROCYCLES | Aileron Therapeutics, Inc. (US) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010034031-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2010-03-25 | — | — | WO | disclosed |