Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8065888 | 0.76 | CA12 (0.48) | CA12CA1CA2CA3CA4 | |
| SCHEMBL14143902 | 0.73 | PARP1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18231528 | 0.73 | PARP1 (0.52) | TDP1POLBPARP1MAPTKMT2A | |
| SCHEMBL600593 | 0.72 | CYP19A1 (0.48) | BLMTSHRRECQLTDP1F2 | |
| SCHEMBL19864697 | 0.72 | NFE2L2 (0.48) | CA12CA1CA2CA9BLM | |
| SCHEMBL9184821 | 0.72 | NFE2L2 (0.48) | CA12CA1CA2CA9BLM | |
| SCHEMBL7106406 | 0.72 | AKR1C1 (0.50) | CA12CA1CA2CA3CA4 | |
| SCHEMBL17253723 | 0.70 | BLM (0.48) | CA12CA1CA2CA3CA4 | |
| SCHEMBL2396375 | 0.70 | BLM (0.48) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3471389 | 0.70 | BLM (0.48) | CA12CA1CA2CA3CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2214676-B1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-21 | — | — | EP | disclosed |
| EP-2062900-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2009-05-27 | — | — | EP | disclosed |