Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3208966 | 0.90 | TACR1 (0.49) | TACR1MEN1KMT2ATACR3USP2 | |
| SCHEMBL3208973 | 0.90 | TACR1 (0.49) | TACR1MEN1KMT2ATACR3USP2 | |
| SCHEMBL3212277 | 0.90 | TACR1 (0.49) | TACR1MEN1KMT2ATACR3USP2 | |
| SCHEMBL13145004 | 0.82 | TACR1 (0.65) | TACR1TACR3USP2 | |
| SCHEMBL13756727 | 0.81 | TACR1 (0.55) | TACR1MEN1KMT2ATACR3USP2 | |
| SCHEMBL3082693 | 0.80 | TACR1 (0.58) | TACR1KMT2ATACR3USP2 | |
| SCHEMBL12809410 | 0.80 | TACR1 (0.58) | TACR1KMT2ATACR3USP2 | |
| SCHEMBL3082292 | 0.80 | TACR1 (0.63) | TACR1TACR3USP2 | |
| SCHEMBL12809204 | 0.80 | TACR1 (0.63) | TACR1TACR3USP2 | |
| SCHEMBL12809292 | 0.79 | TACR1 (0.64) | TACR1TACR3USP2CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1581518-B1 | SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | disclosed |