Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | FDPS | P14324 | 9/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9819600 | 0.78 | TSHR (0.38) | TSHRFDPSGGPS1ALDH1A1 | |
| SCHEMBL6052836 | 0.78 | ALDH1A1 (0.33) | TSHRALDH1A1MAPT | |
| SCHEMBL17185481 | 0.78 | TSHR (0.38) | TSHRALDH1A1ZDHHC20ZDHHC2 | |
| SCHEMBL5879391 | 0.78 | TSHR (0.38) | TSHRALDH1A1ZDHHC20ZDHHC2 | |
| SCHEMBL21625685 | 0.77 | TSHR (0.41) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL3904785 | 0.77 | TSHR (0.41) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL4623887 | 0.75 | TSHR (0.44) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL28887474 | 0.75 | TSHR (0.44) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL27705909 | 0.75 | TSHR (0.44) | TSHRFDPSGGPS1ALDH1A1SMPD1 | |
| SCHEMBL13384231 | 0.73 | TSHR (0.38) | TSHRFDPSGGPS1ALDH1A1SMPD1 |
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-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |