Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 9/20 | 0.47 |
| ▸ | HTR2B | P41595 | 7/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.42 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.42 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.42 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.42 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.42 |
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 SCHEMBL7283443 | 0.98 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CHTR2CHTR2B | |
| SCHEMBL3252072 | 0.90 | PNMT (0.50) | ADRA2AADRA2BADRA2C | |
| SCHEMBL875632 | 0.84 | ALOX15 (0.57) | HRH3ALOX15TSHRHSD17B10 | |
| SCHEMBL11067870 | 0.84 | ALOX15 (0.62) | HRH3ALOX15TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL12468468 | 0.82 | ALOX15 (0.56) | HRH3ALOX15TSHRHSD17B10 | |
| SCHEMBL4915480 | 0.81 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CHTR2CHTR2B | |
| SCHEMBL1648356 | 0.79 | PNMT (0.53) | ADRA2AADRA2BADRA2C | |
| SCHEMBL27919692 | 0.79 | ASIC3 (0.47) | HRH3DRD2 | |
| SCHEMBL12151250 | 0.79 | ALOX15 (0.74) | ADRA2AADRA2BADRA2CHRH3ALOX15 | |
| SCHEMBL4563940 | 0.79 | ITGB3 (0.38) | ALOX15TSHRHSD17B10KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |