Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 11/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TACR3 | P29371 | 1/20 | 0.47 |
| ▸ | RHOA | P61586 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12809410 | 1.00 | TACR1 (0.58) | TACR1KMT2ATACR3RHOAUSP2 | |
| SCHEMBL13756726 | 0.96 | KMT2A (0.58) | TACR1KMT2ATACR3RHOAUSP2 | |
| SCHEMBL5211597 | 0.96 | TACR1 (0.59) | TACR1KMT2ATACR3RHOAUSP2 | |
| SCHEMBL4821824 | 0.96 | TACR1 (0.59) | TACR1KMT2ATACR3RHOAUSP2 | |
| SCHEMBL4821826 | 0.96 | TACR1 (0.59) | TACR1KMT2ATACR3RHOAUSP2 | |
| SCHEMBL13871854 | 0.92 | TACR1 (0.56) | TACR1KMT2ATACR3RHOAUSP2 | |
| SCHEMBL14422732 | 0.92 | TACR1 (0.53) | TACR1KMT2ATACR3RHOAUSP2 | |
| SCHEMBL13145004 | 0.91 | TACR1 (0.65) | TACR1TACR3RHOAUSP2CA1 | |
| SCHEMBL12809203 | 0.90 | KMT2A (0.48) | TACR1KMT2ATACR3RHOAEPHX2 | |
| SCHEMBL3088654 | 0.90 | KMT2A (0.48) | TACR1KMT2ATACR3RHOAEPHX2 |
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-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | claimed |