Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 5/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7705238 | 0.73 | KIF11 (0.44) | ALDH1A1KDM4ESMN1; SMN2RAB9ATSHR | |
| SCHEMBL11287914 | 0.71 | NOTUM (0.43) | TSHRPOLB | |
| SCHEMBL7707670 | 0.70 | KCNJ11 (0.31) | — | |
| SCHEMBL8104087 | 0.70 | P2RX7 (0.36) | ALDH1A1HPGDNPSR1ARTSHR | |
| SCHEMBL7704880 | 0.69 | KDM4E (0.33) | ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT | |
| SCHEMBL7704656 | 0.69 | ERN1 (0.39) | ALDH1A1KDM4ENPSR1MEN1KMT2A | |
| SCHEMBL7705821 | 0.68 | CFTR (0.39) | CFTRPIK3R1PIK3CAALDH1A1KDM4E | |
| SCHEMBL8995621 | 0.68 | CES2 (0.31) | — | |
| SCHEMBL7702031 | 0.68 | AR (0.41) | ALDH1A1HPGDARMAPTNPC1 | |
| SCHEMBL7701994 | 0.68 | CYP11B1 (0.36) | KDM4E |
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-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |