Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27509683 | 0.79 | TSHR (0.54) | TSHRMAOBALDH1A1MAPTL3MBTL1 | |
| Benzyl Alcohol SCHEMBL28264748 | 0.78 | TSHR (0.70) | TSHRLTA4HTP53TDP1ALDH1A1 | |
| Benzyl Alcohol SCHEMBL28289398 | 0.77 | TSHR (0.78) | TSHRLTA4HTP53TDP1ALDH1A1 | |
| Benzyl Alcohol SCHEMBL11410520 | 0.75 | TSHR (0.74) | TSHRLTA4HTP53TDP1ALDH1A1 | |
| Benzyl Alcohol SCHEMBL27782695 | 0.75 | TSHR (0.82) | TSHRLTA4HTP53TDP1ALDH1A1 | |
| Benzyl Alcohol SCHEMBL8332172 | 0.75 | TSHR (0.82) | TSHRLTA4HTP53TDP1ALDH1A1 | |
| Benzyl Alcohol SCHEMBL540993 | 0.75 | TSHR (0.82) | TSHRLTA4HTP53TDP1ALDH1A1 | |
| Benzyl Alcohol SCHEMBL3848701 | 0.74 | — | — | |
| SCHEMBL57531 | 0.74 | — | — | |
| SCHEMBL27606628 | 0.74 | ALDH1A1 (0.44) | TSHRALDH1A1TRPA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1305280-A2 | PROCESS FOR MAKING 3-HYDROXYALKANENITRILES AND HYDROXYAMINOALKANES | E. I. du Pont de Nemours and Company (US) | 2003-05-02 | — | — | EP | disclosed |
| US-6384263-B1 | Process for making 3-hydroxyalkanelnitriles and conversion of the 3-hydroxyalkanelnitrile to an hydroxyaminoalkane | E. I. DU PONT DE NEMOURS AND COMPANY | 2002-05-07 | — | — | US | disclosed |
| US-20020022737-A1 | Process for making 3-hydroxyalkanelnitriles and conversion of the 3-hydroxyalkanelnitrile to an hydroxyaminoalkane | INV NYLON CHEMICALS AMERICAS, LLC | 2002-02-21 | — | — | US | disclosed |
| WO-2002012173-A2 | PROCESS FOR MAKING 3-HYDROXYALKANENITRILES AND HYDROXYAMINOALKANES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-02-14 | — | — | WO | disclosed |