Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 7/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4211677 | 0.81 | KCNN4 (0.66) | KCNN4ALDH1A1TSHRHTTHPGD | |
| SCHEMBL8653700 | 0.80 | KCNN4 (0.60) | KCNN4ALDH1A1TSHRHTTHPGD | |
| SCHEMBL4204126 | 0.78 | KCNN4 (0.57) | KCNN4ALDH1A1TSHRHTTHPGD | |
| SCHEMBL4211634 | 0.78 | KCNN4 (0.57) | KCNN4ALDH1A1TSHRHTTHPGD | |
| SCHEMBL11175731 | 0.77 | ALDH1A1 (0.62) | KCNN4ALDH1A1TSHRHTTNPSR1 | |
| SCHEMBL2005884 | 0.76 | KCNN4 (0.56) | KCNN4ALDH1A1TSHRHTTHPGD | |
| SCHEMBL4205517 | 0.76 | KCNN4 (0.56) | KCNN4ALDH1A1TSHRHTTHPGD | |
| SCHEMBL4207437 | 0.75 | KCNN4 (0.55) | KCNN4ALDH1A1TSHRHTTHPGD | |
| SCHEMBL15542002 | 0.75 | KCNN4 (1.00) | KCNN4ALDH1A1 | |
| SCHEMBL4201420 | 0.74 | KCNN4 (0.53) | KCNN4ALDH1A1TSHRHTTHPGD |
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 |