Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 0.95 |
| ▸ | CA1 | P00915 | 15/20 | 0.95 |
| ▸ | CA9 | Q16790 | 13/20 | 0.95 |
| ▸ | CA12 | O43570 | 12/20 | 0.95 |
| ▸ | CA7 | P43166 | 3/20 | 0.95 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.95 |
| ▸ | CA4 | P22748 | 2/20 | 0.95 |
| ▸ | CA6 | P23280 | 2/20 | 0.95 |
| ▸ | CA5A | P35218 | 2/20 | 0.95 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.95 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1144444 | 0.98 | CA2 (1.00) | CA2CA1CA9CA12CA7 | |
| Hydrochloric Acid SCHEMBL981171 | 0.95 | CA2 (0.95) | CA2CA1CA9CA12CA7 | |
| Hydrochloric Acid SCHEMBL6696969 | 0.95 | CA2 (0.95) | CA2CA1CA9CA12CA7 | |
| Hydrochloric Acid SCHEMBL27493662 | 0.93 | CA2 (0.91) | CA2CA1CA9CA12CA7 | |
| Hypochlorous Acid SCHEMBL5859040 | 0.91 | CA2 (0.87) | CA2CA1CA9CA12CA7 | |
| SCHEMBL4640918 | 0.80 | ALDH1A1 (0.79) | CA2CA1CA9CA12CA7 | |
| SCHEMBL28107398 | 0.80 | SOS1 (0.70) | CA2CA1CA9CA12CA7 | |
| SCHEMBL28102126 | 0.80 | CA2 (0.70) | CA2CA1CA9CA12CA7 | |
| SCHEMBL22001051 | 0.79 | CA2 (0.68) | CA2CA1CA9CA12CA7 | |
| SCHEMBL202948 | 0.79 | CA2 (0.81) | CA2CA1CA9CA12CA7 |
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-0828717-B1 | METHOD OF PREPARING 3-HALOALKYL-1H-PYRAZOLES | SEARLE & CO (US) | 2002-09-04 | — | — | EP | disclosed |