Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.47 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8784770 | 0.90 | TACR1 (0.55) | TACR1LMNAGRIA2GRIA4SMN1; SMN2 | |
| SCHEMBL7851649 | 0.84 | CENPE (0.56) | TACR1GRIA2GRIA4MAPK14 | |
| SCHEMBL8785120 | 0.84 | TACR1 (0.45) | TACR1LMNAKDM4EGRIA2GRIA4 | |
| SCHEMBL8785197 | 0.83 | TACR1 (0.48) | TACR1GRIA2GRIA4 | |
| SCHEMBL7851358 | 0.83 | MAPK14 (0.45) | TACR1GRIA2GRIA4MAPK14 | |
| SCHEMBL7852130 | 0.83 | MAPK14 (0.45) | TACR1GRIA2GRIA4MAPK14 | |
| SCHEMBL5238214 | 0.83 | TACR1 (0.51) | TACR1GRIA2GRIA4MAPK8 | |
| SCHEMBL9764064 | 0.82 | HMGCR (0.46) | TACR1LMNAKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7849465 | 0.82 | TACR1 (0.63) | TACR1GRIA2GRIA4MAPK14 | |
| SCHEMBL7841672 | 0.82 | TACR1 (0.52) | TACR1GRIA2GRIA4MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| US-5527811-A | CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0634402-A1 | Isochinolinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1995-01-18 | — | — | EP | disclosed |