Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | DBH | P09172 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.44 |
| ▸ | CHRNG | P07510 | 4/20 | 0.44 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.44 |
| ▸ | CHRND | Q07001 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11688982 | 0.89 | KDM4E (0.47) | KDM4EGAARECQLDBHCYP2B6 | |
| Hydrochloric Acid SCHEMBL11280550 | 0.78 | SLC6A3 (0.63) | KDM4EGAARECQLDBHCYP2B6 | |
| Hydrochloric Acid SCHEMBL11692942 | 0.77 | KDM4E (0.44) | KDM4EGAARECQLDBHCYP2B6 | |
| Hydrochloric Acid SCHEMBL11694725 | 0.75 | KDM4E (0.49) | KDM4EGAARECQLDBHSLC6A2 | |
| Bromide SCHEMBL11689029 | 0.75 | KDM4E (0.49) | KDM4EGAARECQLDBHSLC6A2 | |
| SCHEMBL10656522 | 0.74 | CYP2B6 (0.51) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL10663279 | 0.73 | CYP2B6 (0.73) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| Hydrochloric Acid SCHEMBL10656473 | 0.72 | CYP2B6 (0.71) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| Hydrochloric Acid SCHEMBL10655169 | 0.72 | CYP2B6 (0.50) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL10657745 | 0.71 | CYP2B6 (0.52) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG |
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-4042713-A | SYMPATHOMIMETIC | BOEHRINGER INGELHEIM GMBH (DT) | 1977-08-16 | — | — | US | disclosed |