Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | SOX18 | P35713 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3716318 | 0.95 | CYP1A2 (0.47) | CYP1A2CYP2A6SIGMAR1HRH3MIF | |
| SCHEMBL3723399 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP2A6SIGMAR1HIF1APYCR1 | |
| SCHEMBL9163264 | 0.82 | HDAC1 (0.51) | CYP1A2CYP2A6SIGMAR1MIFHDAC1 | |
| SCHEMBL6804290 | 0.77 | MIF (0.50) | CYP1A2CYP2A6MIFTRPA1CYP2E1 | |
| SCHEMBL331135 | 0.77 | MIF (0.48) | CYP2A6MIFTRPA1CYP2E1HIF1A | |
| SCHEMBL31417957 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP2A6SIGMAR1PYCR1RAB9A | |
| SCHEMBL3722387 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP2A6SIGMAR1PYCR1RAB9A | |
| Phenethyl Isocyanate SCHEMBL5918 | 0.75 | MIF (0.63) | CYP2A6MIFTRPA1CYP2E1HIF1A | |
| SCHEMBL28223083 | 0.74 | CFTR (0.42) | CYP1A2HIF1AEPAS1HDAC1HDAC8 | |
| SCHEMBL3723760 | 0.74 | HTR2A (0.46) | CYP1A2HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010112946-A1 | ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING | RUDJER BOSKOVIC INSTITUTE (HR) | 2010-10-07 | — | — | WO | claimed |
| WO-2010112946-A1 | ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING | RUDJER BOSKOVIC INSTITUTE (HR) | 2010-10-07 | — | — | WO | disclosed |