Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 8/20 | 0.54 |
| ▸ | CA2 | P00918 | 8/20 | 0.54 |
| ▸ | CA12 | O43570 | 5/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.54 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11855965 | 0.87 | CA2 (0.67) | CA1CA2CA12CA4CA9 | |
| SCHEMBL11419996 | 0.87 | CA2 (0.67) | CA1CA2CA12CA4CA9 | |
| SCHEMBL3158508 | 0.87 | CA2 (0.67) | CA1CA2CA12CA4CA9 | |
| SCHEMBL3292782 | 0.87 | TSHR (0.75) | TSHRHRH3KCNJ1KCNH2LOXL2 | |
| SCHEMBL4930091 | 0.85 | TSHR (0.61) | TSHRHRH3CA1CA2CA12 | |
| SCHEMBL9587030 | 0.85 | CA1 (0.50) | TSHRCA1CA2CA12CA4 | |
| SCHEMBL8094543 | 0.81 | POLB (0.68) | TSHRHRH3CA1CA2CA12 | |
| SCHEMBL11854911 | 0.81 | CA1 (0.70) | CA1CA2CA12CA4CA9 | |
| SCHEMBL10451887 | 0.81 | CA1 (0.70) | CA1CA2CA12CA4CA9 | |
| SCHEMBL14419833 | 0.80 | CA2 (0.58) | TSHRCA1CA2CA12CA4 |
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-2005103035-A1 | MODIFIED FISCHER INDOLE SYNTHESIS OF ELETRIPTAN | PFIZER LIMITED (GB) | 2005-11-03 | — | — | WO | disclosed |