Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL2401386 | 1.00 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2400161 | 0.78 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9303081 | 0.77 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL31257131 | 0.77 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL141647 | 0.77 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL23084671 | 0.75 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| Ammonia Solution, Strong SCHEMBL28077841 | 0.75 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL19503986 | 0.74 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2066662 | 0.74 | CA1 (0.63) | CA1CA2CA7CA9CA12 | |
| Pyrazine SCHEMBL28858442 | 0.74 | CA1 (0.40) | CA1CA2CA7CA9CA12 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1796675-A4 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | MERCK & CO INC (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-1796675-A2 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | Merck & Co., Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006039252-A2 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | MERCK & CO., INC. (US) | 2006-04-13 | — | — | WO | disclosed |
| EP-0906308-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1999-04-07 | — | — | EP | disclosed |
| EP-0861244-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997045426-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-12-04 | — | — | WO | disclosed |
| EP-0804434-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1997-11-05 | — | — | EP | disclosed |
| WO-1997018201-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-22 | — | — | WO | disclosed |
| WO-1996004274-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |