Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6917482 | 0.84 | ALDH1A1 (0.95) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL29518925 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL29004189 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL29369803 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL8482425 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL367 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRCES2CES1ERCC5 | |
| Fluoride SCHEMBL6444932 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL6915337 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL6915594 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRCES2CES1ERCC5 | |
| SCHEMBL8612015 | 0.80 | ALDH1A1 (0.95) | ALDH1A1TSHRCES2CES1ERCC5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0588097-B1 | Nitrile rubber hydrogenation | BAYER RUBBER INC (CA) | 1997-01-15 | — | — | EP | claimed |
| EP-0588096-B1 | Hydrogenation of nitrile rubber | BAYER RUBBER INC (CA) | 1996-01-17 | — | — | EP | claimed |
| EP-0588096-A1 | Hydrogenation of nitrile rubber | BAYER RUBBER INC. (CA) | 1994-03-23 | — | — | EP | claimed |
| EP-0588097-A1 | Nitrile rubber hydrogenation | BAYER RUBBER INC. (CA) | 1994-03-23 | — | — | EP | claimed |
| US-5210151-A | Ruthenium catalyst, molecular weight increase in minimized | POLYSAR RUBBER CORPORATION (CA) | 1993-05-11 | — | — | US | claimed |
| US-5208296-A | Ruthenium Phosphine Catalyst | POLYSAR RUBBER CORPORATION (CA) | 1993-05-04 | — | — | US | claimed |