Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL278353 | 1.00 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2MAPK1 | |
| SCHEMBL19193390 | 0.90 | GAA (0.61) | CYP3A4TSHRCA1CA2TDP1 | |
| SCHEMBL4551023 | 0.88 | HTT (0.47) | CYP3A4TSHRCA1CA2MAPK1 | |
| SCHEMBL17577475 | 0.85 | MAPK1 (0.42) | CYP3A4TSHRCA1CA2MAPK1 | |
| SCHEMBL17576538 | 0.82 | PKM (0.39) | CYP3A4TSHRCA1CA2MAPK1 | |
| SCHEMBL10348147 | 0.82 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2MAPK1 | |
| SCHEMBL2278953 | 0.82 | POLB (0.53) | CYP3A4TSHRCA1CA2MAPK1 | |
| SCHEMBL242025 | 0.82 | CA2 (0.68) | CYP3A4TSHRCA1CA2TDP1 | |
| SCHEMBL165024 | 0.82 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2MAPK1 | |
| SCHEMBL31148855 | 0.82 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1056703-B1 | COLORANT HAVING ISOCYANATE SUBSTITUENT | MILLIKEN RES CORP (US) | 2003-04-16 | — | — | EP | claimed |