Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6580928 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CES2TSHREPHX2THRB | |
| SCHEMBL4182541 | 0.98 | ALDH1A1 (0.36) | ALDH1A1CES2TSHREPHX2THRB | |
| SCHEMBL2418120 | 0.93 | — | — | |
| SCHEMBL9176896 | 0.91 | ALDH1A1 (0.35) | ALDH1A1TSHRTHRBKDM4EPOLB | |
| SCHEMBL27905163 | 0.85 | MEN1 (0.42) | ALDH1A1CES2TSHRTHRBMEN1 | |
| SCHEMBL7249902 | 0.84 | MEN1 (0.45) | ALDH1A1CES2TSHRTHRBMEN1 | |
| SCHEMBL4396265 | 0.84 | MEN1 (0.50) | ALDH1A1CES2TSHRTHRBMEN1 | |
| SCHEMBL5428007 | 0.84 | HTT (0.40) | ALDH1A1CES2TSHREPHX2THRB | |
| SCHEMBL7252399 | 0.84 | MEN1 (0.45) | ALDH1A1CES2TSHRTHRBMEN1 | |
| SCHEMBL7254836 | 0.84 | HTT (0.40) | ALDH1A1CES2TSHREPHX2THRB |
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-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |