Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 5/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6166843 | 1.00 | CA12 (0.41) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6158768 | 0.83 | CA12 (0.42) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6160308 | 0.82 | TSHR (0.35) | POLBHTTTSHRHTR1AHTR7 | |
| SCHEMBL6160613 | 0.79 | CA12 (0.41) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6164928 | 0.78 | CYP11B1 (0.44) | HTR1AHTR7CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6162013 | 0.78 | TSHR (0.45) | POLBHTTTSHRSLC6A2SLC6A3 | |
| SCHEMBL6159171 | 0.78 | TSHR (0.45) | POLBHTTTSHRSLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL6159104 | 0.72 | TACR2 (0.55) | OPRM1TACR2 | |
| SCHEMBL6577049 | 0.72 | CYP8B1 (0.48) | TSHRCYP3A4CYP2D6 | |
| SCHEMBL6579695 | 0.72 | CYP8B1 (0.48) | TSHRCYP3A4CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739891-B1 | Substituted heterocycles | ASTRAZENECA AB (SE) | 2005-01-19 | — | — | EP | disclosed |
| US-6355695-B1 | ANTIHISTAMINES; ASTHMA THERAPY | ZENECA LIMITED (SE) | 2002-03-12 | — | — | US | disclosed |
| US-6235757-B1 | ANTIHISTAMINES | ZENECA LIMITED (GB) | 2001-05-22 | — | — | US | disclosed |
| US-6051580-A | Substituted heterocycles | ZENECA LIMITED | 2000-04-18 | — | — | US | disclosed |
| US-5889024-A | Substituted heterocycles | ZENECA LIMITED (GB) | 1999-03-30 | — | — | US | disclosed |
| EP-0739891-A2 | Substituted heterocycles | ZENECA LIMITED (GB) | 1996-10-30 | — | — | EP | disclosed |