Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.57 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.49 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.49 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.49 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL378420 | 0.94 | TACR1 (0.48) | TACR1CHRM5CHRM3SMN1; SMN2PLAAT3 | |
| SCHEMBL378738 | 0.92 | TACR1 (0.58) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL10254952 | 0.87 | TACR1 (0.69) | TACR1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL378422 | 0.85 | TACR1 (0.56) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL2467338 | 0.84 | CHRM5 (0.74) | TACR1CHRM5CHRM3SMN1; SMN2PLAAT3 | |
| SCHEMBL378864 | 0.81 | CHRM5 (0.57) | CHRM5CHRM3SMN1; SMN2HTTPLAAT3 | |
| SCHEMBL6375805 | 0.80 | SMN1; SMN2 (0.57) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL476243 | 0.79 | TACR1 (0.71) | TACR1SMN1; SMN2HTTHDAC1OPRM1 | |
| SCHEMBL6543304 | 0.78 | OPRM1 (0.56) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL19273223 | 0.77 | OPRL1 (0.60) | TACR1SMN1; SMN2HTTRAB9ANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |