Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7042463 | 0.85 | CA12 (0.57) | IKBKBPOLBL3MBTL1KDM4ETDP1 | |
| SCHEMBL24936303 | 0.84 | CA9 (0.42) | IKBKBL3MBTL1NPSR1ALDH1A1CA12 | |
| SCHEMBL14353384 | 0.82 | POLB (0.54) | IKBKBPOLBL3MBTL1KDM4ECTDSP1 | |
| SCHEMBL7020144 | 0.82 | KDM4E (0.47) | IKBKBPOLBL3MBTL1KDM4ECTDSP1 | |
| SCHEMBL6904185 | 0.82 | ALDH1A1 (0.44) | IKBKBL3MBTL1TDP1NPSR1ALDH1A1 | |
| SCHEMBL17490709 | 0.82 | IKBKB (0.50) | IKBKBPOLBL3MBTL1KDM4ECTDSP1 | |
| SCHEMBL31272087 | 0.82 | IKBKB (0.43) | IKBKBPOLBL3MBTL1KDM4ECTDSP1 | |
| SCHEMBL31726010 | 0.81 | KDM4E (0.46) | IKBKBPOLBL3MBTL1KDM4ECTDSP1 | |
| SCHEMBL31208519 | 0.81 | KDM4E (0.46) | IKBKBPOLBL3MBTL1KDM4ECTDSP1 | |
| SCHEMBL1534624 | 0.79 | ALDH1A1 (0.48) | IKBKBL3MBTL1ALDH1A1CA12CA1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3600312-A1 | PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 | Takeda Pharmaceutical Company Limited (JP) | 2020-02-05 | — | — | EP | disclosed |
| CN-106715432-B | New Imidazopyridazines and application thereof | 和记黄埔医药（上海）有限公司 | 2019-03-26 | — | — | CN | disclosed |
| WO-2018183145-A1 | PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-10-04 | — | — | WO | disclosed |
| CN-104447727-B | Substituted amino-metadiazine compound and its application method and purposes | 广东东阳光药业有限公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-104513235-B | Substituted amino-metadiazine compound and its application method and purposes | 广东东阳光药业有限公司 | 2017-12-05 | — | — | CN | disclosed |
| CN-106715432-A | Novel imidazopyridazine compounds and their use | 和记黄埔医药（上海）有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-104513235-A | Substituted aminopyrimidine compound and use thereof | GUANGDONG HEC PHARMACEUTICAL | 2015-04-15 | — | — | CN | disclosed |
| CN-104447727-A | Substituted aminopyrimidine compound as well as use method and application thereof | GUANGDONG HEC PHARMACEUTICAL | 2015-03-25 | — | — | CN | disclosed |
| CN-102458405-A | Novel anti-inflammatory agents | RESVERLOGIX CORP | 2012-05-16 | — | — | CN | disclosed |
| CN-102427813-A | Novel anti-inflammatory agents | RESVERLOGIX CORP | 2012-04-25 | — | — | CN | disclosed |
| EP-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-1124810-A1 | 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026202-A1 | 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-05-11 | — | — | WO | disclosed |
| CN-1109050-A | Catecholamine surrogates useful as beta3 agonists | BRISTOL MYERS SQUIBB CO (US) | 1995-09-27 | — | — | CN | disclosed |