Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | MC5R | P33032 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722387 | 0.94 | CYP1A2 (0.48) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL31417957 | 0.94 | CYP1A2 (0.48) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL636210 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL29799862 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL3718356 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP2A6PYCR1HIF1ASIGMAR1 | |
| SCHEMBL3716318 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL29589483 | 0.76 | KMT2A (0.33) | CYP1A2CYP2A6ALDH1A1CYP3A4CASP1 | |
| SCHEMBL6437951 | 0.76 | MIF (0.44) | CYP1A2ALDH1A1CYP3A4HIF1AKMT2A | |
| SCHEMBL14118949 | 0.76 | KMT2A (0.33) | CYP1A2CYP2A6ALDH1A1CYP3A4CASP1 | |
| SCHEMBL26785 | 0.76 | MIF (0.47) | CYP1A2ALDH1A1CYP3A4HIF1AKMT2A |
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 |