Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 10/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | GAA | P10253 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | GLA | P06280 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 6/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25983203 | 0.85 | KIF11 (0.44) | ARKIF11ALDH1A1GAAKDM4E | |
| SCHEMBL25983164 | 0.85 | AR (0.51) | AR | |
| SCHEMBL25983162 | 0.85 | AR (0.47) | AR | |
| SCHEMBL24786212 | 0.79 | RXRA (0.40) | ARKIF11ALDH1A1GAAKDM4E | |
| SCHEMBL25982722 | 0.79 | RXRA (0.40) | ARKIF11ALDH1A1GAAKDM4E | |
| SCHEMBL25983363 | 0.79 | KDM4E (0.47) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL7926453 | 0.77 | NOTUM (0.42) | ARKIF11ALDH1A1GAAKDM4E | |
| SCHEMBL27414134 | 0.77 | AR (0.38) | ARKIF11ALDH1A1GAAKDM4E | |
| SCHEMBL1906819 | 0.76 | AR (0.43) | ARALDH1A1GAAKDM4EGLA | |
| SCHEMBL7920528 | 0.75 | KIF11 (0.42) | ARKIF11ALDH1A1GAAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362372-B2 | HYDROGENATION OF A TRIFLUOROBENZYLNITRILE BY HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA AND A CATALYST COMPRISING A PLATINUM GROUP ELEMENT; EXTREMELY HIGH YIELDS | CENTRAL GLASS COMPANY, LIMITED (JP) | 2002-03-26 | — | — | US | disclosed |
| US-6175041-B1 | HYDROGENATING A TRIFLUOROMETHYLBENZONITRILE WITH HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA, USING A RANEY CATALYST | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-01-16 | — | — | US | disclosed |