Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17027575 | 0.83 | MAPT (0.50) | CYP3A4TDP1ALDH1A1HPGDFDPS | |
| SCHEMBL17874342 | 0.83 | FDPS (0.49) | CYP3A4TDP1ALDH1A1HPGDFDPS | |
| SCHEMBL307695 | 0.82 | HTR3E (0.53) | CYP3A4TDP1ALDH1A1HPGDPTGS1 | |
| SCHEMBL29600721 | 0.82 | HTR3E (0.53) | CYP3A4TDP1ALDH1A1HPGDPTGS1 | |
| SCHEMBL17880608 | 0.82 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1HPGDPTGS2 | |
| SCHEMBL10583983 | 0.75 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL10827257 | 0.74 | CYP3A4 (0.44) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL8070390 | 0.74 | CYP3A4 (0.46) | CYP3A4TDP1ALDH1A1HPGDPTGS1 | |
| SCHEMBL893938 | 0.74 | CYP3A4 (0.49) | CYP3A4TDP1ALDH1A1HPGDPTGS1 | |
| SCHEMBL31711475 | 0.74 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1HPGDPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016103283-A1 | BIO-BASED AROMATIC DIISOCYANATES FOR PREPARATION OF POLYURETHANES | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-06-30 | — | — | WO | disclosed |