Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17874339 | 0.82 | SMN1; SMN2 (0.47) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL17880576 | 0.82 | CYP3A4 (0.40) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL374491 | 0.79 | CYP3A4 (0.47) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL21264352 | 0.75 | CYP3A4 (0.43) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL14014007 | 0.74 | PTGS2 (0.43) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL31711476 | 0.72 | CYP3A4 (0.41) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL30822599 | 0.72 | TDP1 (0.46) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL27189444 | 0.72 | TDP1 (0.46) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL7530889 | 0.72 | CYP1A2 (0.47) | CYP3A4ALDH1A1HPGDTDP1KMT2A | |
| SCHEMBL9358807 | 0.71 | TUBB4A (0.47) | CYP3A4ALDH1A1HPGDTDP1KMT2A |
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 |