Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11506635 | 0.81 | HTR1A (0.61) | HTR1ATACR1GNAI3GNAO1GNAI1 | |
| SCHEMBL11509286 | 0.78 | HTR1A (0.65) | HTR1ATACR1GPR183BCHEHRH2 | |
| SCHEMBL24173124 | 0.76 | GNAI3 (0.49) | GNAI3GNAO1GNAI1GPR183CHRM3 | |
| SCHEMBL4914337 | 0.74 | GNAI3 (0.48) | GNAI3GNAO1GNAI1GPR183CHRM3 | |
| SCHEMBL4902288 | 0.73 | GNAI3 (0.52) | GNAI3GNAO1GNAI1CHRM3BCHE | |
| SCHEMBL28201825 | 0.73 | GPR183 (0.54) | GNAI3GNAO1GNAI1GPR183CHRM3 | |
| SCHEMBL9469495 | 0.72 | POLB (0.50) | TACR1KMT2A | |
| SCHEMBL4914342 | 0.72 | GNAI3 (0.50) | GNAI3GNAO1GNAI1 | |
| SCHEMBL9463311 | 0.72 | ALDH1A1 (0.41) | HTR1ACA2KMT2A | |
| SCHEMBL10995586 | 0.72 | TACR1 (0.53) | HTR1ATACR1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995000498-A1 | N,N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1995-01-05 | — | — | WO | disclosed |
| US-5348955-A | Angiotensis II antagonists | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5344830-A | Anitinflammatory, cardiovascular, analgesic, central nervous system | MERCK & CO., INC. (US) | 1994-09-06 | — | — | US | disclosed |
| WO-1994013646-A1 | N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |
| US-5292726-A | N,N-diacylpiperazines | MERCK & CO., INC. (US) | 1994-03-08 | — | — | US | disclosed |
| WO-1992020661-A1 | N, N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1992-11-26 | — | — | WO | disclosed |