Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 7/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 6/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2474613 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2D6TSHRCYP3A4MAOB | |
| SCHEMBL2477757 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2D6TSHRCYP3A4MAOB | |
| SCHEMBL2471461 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2D6TSHRCYP3A4MAOB | |
| SCHEMBL13088683 | 0.78 | SIGMAR1 (0.50) | GRIN2BTAAR1SIGMAR1SLC18A2MAOA | |
| SCHEMBL16419884 | 0.76 | SIGMAR1 (0.55) | CYP2D6CYP3A4GRIN2BTAAR1SIGMAR1 | |
| SCHEMBL3469029 | 0.74 | CSNK1E (0.49) | CYP1A2CYP2D6TSHRCYP3A4MAOB | |
| Desmethylselegiline SCHEMBL27813455 | 0.74 | CYP1A2 (0.93) | CYP1A2CYP2D6TSHRCYP3A4TAAR1 | |
| Desmethylselegiline SCHEMBL4543249 | 0.73 | CYP1A2 (1.00) | CYP1A2CYP2D6TSHRCYP3A4TAAR1 | |
| Rnordeprenyl SCHEMBL2477570 | 0.73 | CYP1A2 (1.00) | CYP1A2CYP2D6TSHRCYP3A4TAAR1 | |
| Rnordeprenyl SCHEMBL12171086 | 0.73 | CYP1A2 (1.00) | CYP1A2CYP2D6TSHRCYP3A4TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2388245-B1 | Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors | PIRAMAL IMAGING SA (CH) | 2017-07-12 | — | — | EP | claimed |
| EP-2374779-A1 | Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors | Bayer Pharma Aktiengesellschaft (DE) | 2011-10-12 | — | — | EP | disclosed |