Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | POLQ | O75417 | 1/20 | 0.32 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11287914 | 0.86 | NOTUM (0.43) | KIF11TSHRCNR2CES2SCN2A | |
| SCHEMBL7704880 | 0.84 | KDM4E (0.33) | KIF11ALDH1A1ACHECES2POLQ | |
| SCHEMBL7701994 | 0.83 | CYP11B1 (0.36) | KIF11CES2CYP11B2KDM4E | |
| SCHEMBL7702031 | 0.83 | AR (0.41) | KIF11ALDH1A1NPBWR1CES2CYP11B2 | |
| SCHEMBL7705830 | 0.82 | GAA (0.39) | ALDH1A1CNR1KDM4ESMN1; SMN2 | |
| SCHEMBL7705198 | 0.79 | PGR (0.44) | ALDH1A1ACHECYP11B2KDM4ERAB9A | |
| SCHEMBL7707666 | 0.79 | PTPN5 (0.43) | CES2TACR1 | |
| SCHEMBL7702101 | 0.78 | TOP1 (0.35) | CES2 | |
| SCHEMBL7699906 | 0.77 | AHR (0.39) | KDM4ERAB9A | |
| SCHEMBL17024091 | 0.76 | AHR (0.31) | — |
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 7 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 |
| CN-1169731-A | Tachykinin antagonists | NOVATIS CO LTD (CH) | 1998-01-07 | — | — | CN | disclosed |
| EP-0797583-A1 | TACHYKININ ANTAGONISTS | Novartis AG (CH) | 1997-10-01 | — | — | EP | disclosed |
| EP-0797583-A1 | TACHYKININ ANTAGONISTS | Novartis AG (CH) | 1997-10-01 | — | — | EP | disclosed |
| WO-1996018643-A1 | TACHYKININ ANTAGONISTS | NOVARTIS AG (CH) | 1996-06-20 | — | — | WO | disclosed |
| WO-1996018643-A1 | TACHYKININ ANTAGONISTS | NOVARTIS AG (CH) | 1996-06-20 | — | — | WO | disclosed |