Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1225573 | 0.81 | DRD2 (0.36) | OPRM1OPRL1CES1DRD2 | |
| Hydrochloric Acid SCHEMBL11044882 | 0.74 | OPRL1 (0.41) | ALDH1A1KDM4EUSP2KMT2AOPRM1 | |
| SCHEMBL182321 | 0.72 | ALDH1A1 (0.78) | ALDH1A1KDM4EUSP2KMT2AMAPT | |
| SCHEMBL9679930 | 0.71 | LMNA (0.42) | OPRM1OPRL1HPGDAKR1C1 | |
| SCHEMBL15111158 | 0.70 | OPRM1 (0.51) | ALDH1A1KMT2AOPRM1OPRL1MEN1 | |
| SCHEMBL10207189 | 0.70 | CYP2C19 (0.34) | ALDH1A1KMT2AMEN1 | |
| Bromide SCHEMBL7249768 | 0.70 | ALDH1A1 (0.75) | ALDH1A1KDM4EUSP2KMT2AMAPT | |
| SCHEMBL2090673 | 0.69 | FFAR3 (0.38) | KMT2AOPRM1OPRL1MEN1AKR1C1 | |
| Hydrochloric Acid SCHEMBL9985971 | 0.69 | LMNA (0.43) | ALDH1A1KMT2AOPRM1OPRL1SMN1; SMN2 | |
| SCHEMBL23956972 | 0.69 | ALDH1A1 (0.49) | ALDH1A1KDM4EKMT2AMAPTMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029575-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-2024358-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2008020902-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2007133491-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-11-22 | — | — | WO | disclosed |