Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL2718879 | 0.76 | LTA4H (0.45) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL7823323 | 0.71 | TYR (0.43) | RAB9ANPC1MAPTTP53KMT2A | |
| SCHEMBL3484265 | 0.67 | HMOX1 (0.48) | TP53KMT2AMEN1ALDH1A1HMOX1 | |
| SCHEMBL31259416 | 0.67 | HTR7 (0.57) | RAB9ASMN1; SMN2NPC1MAPTHTR7 | |
| SCHEMBL74492 | 0.67 | HTR7 (0.57) | RAB9ASMN1; SMN2NPC1MAPTHTR7 | |
| SCHEMBL10798879 | 0.66 | HTR7 (0.67) | RAB9ASMN1; SMN2NPC1MAPTNFKB1 | |
| Fluoride SCHEMBL28350550 | 0.65 | HTR7 (0.55) | RAB9ASMN1; SMN2NPC1MAPTHTR7 | |
| SCHEMBL29788845 | 0.65 | KMT2A (0.54) | SMN1; SMN2MAPTKMT2AMEN1HTT | |
| SCHEMBL701534 | 0.64 | HTR7 (0.64) | RAB9ASMN1; SMN2NPC1MAPTNFKB1 | |
| SCHEMBL2344935 | 0.64 | HTR7 (0.64) | RAB9ASMN1; SMN2NPC1MAPTNFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019410-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2000-07-19 | — | — | EP | disclosed |
| US-6060469-A | Spiro-piperidine derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-05-09 | — | — | US | disclosed |
| WO-1997019084-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |