Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | STS | P08842 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | AKT2 | P31751 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17321361 | 0.90 | AKT1 (0.55) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL19331340 | 0.86 | LMNA (0.54) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL19331071 | 0.84 | NPSR1 (0.50) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL19343524 | 0.82 | CYP1A2 (0.47) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL871865 | 0.81 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL19331342 | 0.81 | ATM (0.48) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL87450 | 0.80 | CA1 (0.83) | LMNACYP1A2CYP3A4MAOACA1 | |
| Hydrochloric Acid SCHEMBL871688 | 0.79 | CA1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6788089 | 0.78 | CA1 (0.73) | LMNACYP1A2CYP3A4MAOACA1 | |
| Cyclohexane SCHEMBL2917907 | 0.78 | CA1 (0.73) | LMNACYP1A2CYP3A4MAOACA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016021742-A1 | HETEROCYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016021742-A1 | HETEROCYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-02-11 | — | — | WO | disclosed |