Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.61 |
| ▸ | TACR3 | P29371 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5211651 | 1.00 | TACR1 (0.61) | TACR1TACR3MGLLUSP2CA1 | |
| SCHEMBL4820219 | 1.00 | TACR1 (0.61) | TACR1TACR3MGLLUSP2CA1 | |
| SCHEMBL14017631 | 0.92 | TACR1 (0.66) | TACR1TACR3MGLLUSP2CA1 | |
| SCHEMBL4817425 | 0.92 | TACR1 (0.66) | TACR1TACR3MGLLUSP2CA1 | |
| SCHEMBL4817431 | 0.92 | TACR1 (0.66) | TACR1TACR3MGLLUSP2CA1 | |
| SCHEMBL13871843 | 0.91 | TACR1 (0.58) | TACR1TACR3USP2RHOA | |
| SCHEMBL13145004 | 0.88 | TACR1 (0.65) | TACR1TACR3MGLLUSP2CA1 | |
| SCHEMBL4818317 | 0.87 | TACR1 (0.64) | TACR1TACR3USP2RHOA | |
| SCHEMBL4818313 | 0.87 | TACR1 (0.64) | TACR1TACR3USP2RHOA | |
| SCHEMBL5214038 | 0.87 | TACR1 (0.64) | TACR1TACR3USP2RHOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7435736-B2 | Substituted 1-piperidin-4-yl-4-azetidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-10-14 | — | — | US | claimed |