Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25260992 | 0.86 | SIGMAR1 (0.31) | ALDH1A1KDM4ESIGMAR1CHRM5CHRM3 | |
| SCHEMBL7375124 | 0.79 | CA1 (0.42) | ATMCA1CA2CA12CA9 | |
| SCHEMBL25259016 | 0.79 | CTSK (0.47) | CA1CA2DRD2DRD3 | |
| SCHEMBL8320694 | 0.76 | CA1 (0.47) | ATMCA1CA2CA12CA9 | |
| SCHEMBL799005 | 0.76 | CA1 (0.47) | ATMCA1CA2CA12CA9 | |
| SCHEMBL5961771 | 0.76 | CA1 (0.47) | ATMCA1CA2CA12CA9 | |
| SCHEMBL9667717 | 0.75 | — | — | |
| SCHEMBL39851 | 0.74 | — | — | |
| SCHEMBL39918 | 0.74 | — | — | |
| SCHEMBL39850 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5166341-A | Selective antagonist of serotonin 3(5-HT3) receptor | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1992-11-24 | — | — | US | disclosed |
| US-5017573-A | Serotonin receptor antagonist | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |
| EP-0358903-A2 | Indazole-3-carboxylic acid derivatives | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1990-03-21 | — | — | EP | disclosed |