Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | EED | O75530 | 1/20 | 0.39 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.39 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.39 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.39 |
| ▸ | AEBP2 | Q6ZN18 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 5/20 | 0.38 |
| ▸ | MMP1 | P03956 | 4/20 | 0.38 |
| ▸ | MMP3 | P08254 | 3/20 | 0.38 |
| ▸ | MMP7 | P09237 | 3/20 | 0.38 |
| ▸ | MMP9 | P14780 | 3/20 | 0.38 |
| ▸ | MMP8 | P22894 | 3/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL106237 | 0.78 | ALDH1A1 (0.46) | GPR119ALDH1A1LMNAMAPTEED | |
| SCHEMBL23564637 | 0.76 | KDM4E (0.44) | GPR119ALDH1A1LMNAMAPTEED | |
| SCHEMBL29151392 | 0.75 | ALDH1A1 (0.43) | GPR119ALDH1A1LMNAMAPTEED | |
| SCHEMBL26912186 | 0.73 | ALDH1A1 (0.43) | GPR119ALDH1A1LMNAMAPTEED | |
| SCHEMBL19268020 | 0.73 | GPR119 (0.51) | GPR119ALDH1A1LMNAMAPTMET | |
| SCHEMBL2212752 | 0.72 | GPR119 (0.47) | GPR119ALDH1A1LMNAMAPTEED | |
| SCHEMBL70414 | 0.71 | KDM1A (0.53) | GPR119ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL15478923 | 0.71 | GPR119 (0.46) | GPR119ALDH1A1LMNAMAPTEED | |
| SCHEMBL23826060 | 0.71 | MMP13 (0.48) | GPR119METMMP13MMP1MMP3 | |
| SCHEMBL23826062 | 0.71 | MMP13 (0.48) | GPR119METMMP13MMP1MMP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013213-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007130860-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| WO-2007130927-A2 | CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |