Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 9/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 8/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | WNT3 | P56703 | 1/20 | 0.40 |
| ▸ | SFRP1 | Q8N474 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6664501 | 0.87 | CNR1 (0.41) | ALDH1A1KDM4EMCHR1NPBWR1WNT3 | |
| SCHEMBL6659166 | 0.78 | DPP8 (0.49) | ALDH1A1KDM4EMCHR1NPBWR1 | |
| SCHEMBL6908168 | 0.78 | L3MBTL1 (0.50) | — | |
| SCHEMBL6659429 | 0.78 | L3MBTL1 (0.50) | — | |
| SCHEMBL7521718 | 0.77 | MCHR1 (0.48) | KDM4EMCHR1NPBWR1CACNA1G | |
| SCHEMBL6664762 | 0.76 | KMT2A (0.57) | ALDH1A1KDM4EMCHR1NPBWR1CACNA1G | |
| SCHEMBL6664757 | 0.76 | KMT2A (0.57) | ALDH1A1KDM4EMCHR1NPBWR1CACNA1G | |
| SCHEMBL7512290 | 0.76 | KDM4E (0.55) | KDM4EMCHR1TSHR | |
| SCHEMBL6678657 | 0.76 | KDM4E (0.55) | KDM4EMCHR1TSHR | |
| SCHEMBL6663014 | 0.74 | MAPT (0.54) | ALDH1A1KDM4EMCHR1CACNA1GTSHR |
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-1257544-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | Vertex Pharmaceuticals Incorporated (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001058891-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-08-16 | — | — | WO | disclosed |