Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1403790 | 0.86 | PDK2 (0.38) | KIF11FABP4ACHEALDH1A1ESR1 | |
| SCHEMBL7704882 | 0.81 | KDM4E (0.37) | KIF11ACHEALDH1A1ESR1KDM4E | |
| SCHEMBL2597832 | 0.79 | FABP4 (0.53) | KIF11FABP4L3MBTL1ACHEALDH1A1 | |
| SCHEMBL7701995 | 0.79 | CYP11B1 (0.37) | KIF11ALDH1A1KDM4EMAPTCYP11B2 | |
| SCHEMBL7702032 | 0.79 | AR (0.46) | ACHEALDH1A1POLBKDM4EGAA | |
| SCHEMBL11287918 | 0.79 | MAP4K4 (0.45) | TSHRMAPTTDP1 | |
| SCHEMBL7705833 | 0.77 | GAA (0.45) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL28222652 | 0.76 | KIF11 (0.54) | KIF11FABP4L3MBTL1ACHEALDH1A1 | |
| SCHEMBL28835026 | 0.75 | AR (0.46) | ALDH1A1TSHRPOLBKDM4EHPGD | |
| SCHEMBL27943007 | 0.75 | BACE1 (0.38) | KIF11ALDH1A1POLBKDM4EGAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| EP-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | 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 |