Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.40 |
| ▸ | HTR2C | P28335 | 7/20 | 0.40 |
| ▸ | QDPR | P09417 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | USP7 | Q93009 | 2/20 | 0.37 |
| ▸ | ILK | Q13418 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28834199 | 0.71 | KMT2A (0.43) | MEN1KMT2ASLC18A3SIGMAR1GABRA1 | |
| Hydrochloric Acid SCHEMBL3889358 | 0.70 | PLAUR (0.47) | MEN1KMT2A | |
| SCHEMBL7700269 | 0.70 | PDE10A (0.50) | MEN1KMT2ASLC18A3SIGMAR1GABRA1 | |
| SCHEMBL6222895 | 0.69 | MEN1 (0.41) | MEN1KMT2ASLC18A3SIGMAR1GABRA1 | |
| SCHEMBL29590357 | 0.69 | MEN1 (0.55) | MEN1KMT2ASLC18A3SIGMAR1GABRA1 | |
| SCHEMBL3703819 | 0.69 | MEN1 (0.55) | MEN1KMT2ASLC18A3SIGMAR1GABRA1 | |
| SCHEMBL6975725 | 0.69 | NUDT1 (0.53) | MEN1KMT2ASLC18A3SIGMAR1HTR2C | |
| SCHEMBL23877258 | 0.68 | MAPT (0.56) | MEN1KMT2ABCHEACHEILK | |
| Hydrochloric Acid SCHEMBL3709193 | 0.68 | MEN1 (0.54) | MEN1KMT2ASLC18A3SIGMAR1GABRA1 | |
| SCHEMBL30735510 | 0.68 | MEN1 (0.43) | MEN1KMT2ASLC18A3SIGMAR1HTR2C |
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-1809633-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006052378-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-05-18 | — | — | WO | disclosed |