Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 6/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9568230 | 0.87 | MCHR1 (0.40) | TSHRALDH1A1GAAMCHR1CNR1 | |
| SCHEMBL9568227 | 0.87 | MCHR1 (0.40) | TSHRALDH1A1GAAMCHR1CNR1 | |
| SCHEMBL9568147 | 0.86 | ALDH1A1 (0.41) | TSHRALDH1A1GAAMCHR1CNR1 | |
| SCHEMBL9568142 | 0.86 | ALDH1A1 (0.41) | TSHRALDH1A1GAAMCHR1CNR1 | |
| SCHEMBL9568177 | 0.86 | MCHR1 (0.39) | TSHRALDH1A1GAAMCHR1DRD4 | |
| SCHEMBL9568178 | 0.86 | MCHR1 (0.39) | TSHRALDH1A1GAAMCHR1DRD4 | |
| SCHEMBL9568102 | 0.85 | TSHR (0.39) | TSHRALDH1A1GAAMCHR1CNR1 | |
| SCHEMBL9568097 | 0.85 | TSHR (0.39) | TSHRALDH1A1GAAMCHR1CNR1 | |
| SCHEMBL9568079 | 0.85 | TSHR (0.43) | TSHRALDH1A1GAAMCHR1CNR1 | |
| Hydrochloric Acid SCHEMBL9568153 | 0.83 | ST14 (0.40) | ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0574808-A1 | Amidine-biphenyl derivatives, process for their production & medical preparation containing them | Dr. Karl Thomae GmbH (DE) | 1993-12-22 | — | — | EP | disclosed |