Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| Styrene SCHEMBL8746482 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDKDM4ECYP2D6 | |
| SCHEMBL10707684 | 0.82 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2CYP1A2HPGDNPC1 | |
| Propane SCHEMBL28251881 | 0.80 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP1A2HPGDNPC1 | |
| Pyridine SCHEMBL28233878 | 0.77 | TSHR (0.38) | TSHR | |
| Alcohol SCHEMBL29118531 | 0.77 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CYP1A2HPGDNPC1 | |
| Bromoethane SCHEMBL29086552 | 0.77 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CYP1A2HPGDNPC1 | |
| Hydrochloric Acid SCHEMBL28289489 | 0.76 | — | — | |
| SCHEMBL22548 | 0.76 | — | — | |
| SCHEMBL14867 | 0.76 | — | — | |
| SCHEMBL27823328 | 0.76 | — | — |
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-5959031-A | CONTAINING AN ETHYLENEBIS DIAMIDE RELEASE AGENT | DU PONT CANADA INC. (CA) | 1999-09-28 | — | — | US | disclosed |