Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINE1 | P05121 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.40 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 SCHEMBL4920488 | 0.99 | SERPINE1 (0.50) | SERPINE1LMNAGAAHTTCNR2 | |
| SCHEMBL2470902 | 0.87 | HDAC3 (0.49) | SERPINE1LMNAGAAHTTCNR2 | |
| Hydrochloric Acid SCHEMBL4923250 | 0.86 | HDAC3 (0.48) | SERPINE1LMNAGAAHTTCNR2 | |
| SCHEMBL2470396 | 0.82 | CNR2 (0.49) | CNR2ESR1CNR1 | |
| Hydrochloric Acid SCHEMBL4922430 | 0.81 | POLB (0.48) | CNR2ESR1CNR1 | |
| SCHEMBL2472519 | 0.77 | HDAC1 (0.50) | SERPINE1 | |
| Hydrochloric Acid SCHEMBL4922816 | 0.76 | HDAC1 (0.49) | SERPINE1 | |
| SCHEMBL2474733 | 0.70 | HTR6 (0.47) | SERPINE1 | |
| SCHEMBL7206707 | 0.68 | HDAC1 (0.53) | — | |
| SCHEMBL5622632 | 0.68 | KEAP1 (0.64) | LMNACNR2NR3C1ESR1CNR1 |
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-2371814-A1 | Aminoethylaromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | Abbott GmbH & Co. KG (DE) | 2011-10-05 | — | — | EP | disclosed |