Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | DGKA | P23743 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28117429 | 0.88 | ALDH1A1 (0.52) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL27477159 | 0.86 | NAAA (0.41) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL23646835 | 0.85 | NAAA (0.48) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL1881321 | 0.83 | NAAA (0.47) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL19007851 | 0.83 | NAAA (0.47) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL27735585 | 0.81 | NAAA (0.46) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL16546165 | 0.81 | ALDH1A1 (0.50) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL4653685 | 0.81 | NAAA (0.46) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL28132931 | 0.81 | NAAA (0.50) | NAAAALDH1A1HTR2CATMDGKA | |
| SCHEMBL27797391 | 0.81 | NAAA (0.46) | NAAAALDH1A1HTR2CATMDGKA |
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-8808679-B2 | Auristatin compounds and conjugates thereof | MERSANA THERAPEUTICS, INC. (US) | 2014-08-19 | — | — | US | disclosed |