Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.78 |
| ▸ | RAB9A | P51151 | 1/20 | 0.78 |
| ▸ | ATM | Q13315 | 1/20 | 0.78 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.70 |
| ▸ | MEN1 | O00255 | 4/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA7 | P43166 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.62 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.61 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 2/20 | 0.59 |
| ▸ | NAMPT | P43490 | 1/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL786718 | 0.96 | NPC1 (0.84) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL27629062 | 0.90 | NPC1 (0.74) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL10720211 | 0.88 | CA12 (0.76) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL4206605 | 0.85 | CA12 (0.71) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL13212972 | 0.81 | CA12 (0.71) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL95659 | 0.81 | CA12 (0.67) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL8160698 | 0.81 | HSD11B1 (0.66) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL3455533 | 0.81 | RAB9A (0.87) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL1299004 | 0.80 | HTR2B (0.62) | NPC1RAB9AATMHSD11B1MEN1 | |
| SCHEMBL13952062 | 0.80 | HSD11B1 (0.61) | NPC1RAB9AATMHSD11B1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |