Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12457439 | 0.92 | ALDH1A1 (0.51) | ALDH1A1TSHRL3MBTL1MAPTGAA | |
| SCHEMBL9967686 | 0.82 | ATM (0.61) | ALDH1A1TSHRL3MBTL1MAPTGAA | |
| SCHEMBL1283334 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHRL3MBTL1MAPTGAA | |
| SCHEMBL10394020 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHRL3MBTL1MAPTGAA | |
| SCHEMBL12878993 | 0.77 | NR1H4 (0.47) | TSHRNR1H4 | |
| SCHEMBL12878996 | 0.77 | NR1H4 (0.57) | ALDH1A1TSHRL3MBTL1NR1H4 | |
| SCHEMBL18557579 | 0.76 | PTGS1 (0.62) | ALDH1A1L3MBTL1MAPTKDM4EPTGS2 | |
| SCHEMBL2306450 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TSHRL3MBTL1MAPTGAA | |
| SCHEMBL18557580 | 0.75 | GPBAR1 (0.47) | ALDH1A1L3MBTL1MAPTKDM4EPTGS2 | |
| SCHEMBL9967689 | 0.74 | PTGS1 (0.59) | ALDH1A1MAPTGAALMNAPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |
| US-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |