Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | IAPP | P10997 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | BID | P55957 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.41 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8402772 | 0.94 | GPR35 (0.53) | GPR35ALOX5PTGS2ERN1ELANE | |
| SCHEMBL5595098 | 0.90 | GPR35 (0.60) | GPR35ERN1IAPPTDP1ALDH1A1 | |
| SCHEMBL6233468 | 0.85 | ALDH1A1 (0.46) | GPR35TDP1ELANECTSGALDH1A1 | |
| SCHEMBL30543045 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6679612 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4854222 | 0.84 | GPR35 (0.67) | GPR35ERN1TDP1ALDH1A1TSHR | |
| SCHEMBL30543046 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL8748291 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27973507 | 0.83 | TSHR (0.45) | GPR35ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL27648916 | 0.83 | GPR35 (0.55) | GPR35ERN1TDP1ALDH1A1TSHR |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018183367-A1 | METHODS OF TREATING CYSTIC FIBROSIS IN PATIENTS WITH RESIDUAL FUNCTION MUTATIONS | VAN GOOR FREDRICK F (US) | 2018-10-04 | — | — | WO | disclosed |
| CN-104788328-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2015-07-22 | — | — | CN | disclosed |
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-102448952-B | Antiviral compounds and uses thereof | ABBVIE (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103641765-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2014-03-19 | — | — | CN | disclosed |
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| EP-2522659-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-11-14 | — | — | EP | disclosed |
| EP-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| CN-102652128-A | 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2012-08-29 | — | — | CN | disclosed |
| CN-102448952-A | Antiviral compounds and uses thereof | ABBOTT LAB | 2012-05-09 | — | — | CN | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |
| EP-1381590-B1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORP (US) | 2007-06-20 | — | — | EP | disclosed |
| CN-1511830-A | Compound used as antiphlogistic | ���ָ��.Ӣ��ķҩ�﹫˾ | 2004-07-14 | — | — | CN | disclosed |
| CN-1156452-C | Compounds as anti-inflammatory agents | ���ָ����Ӣ��ķҩ�﹫˾ | 2004-07-07 | — | — | CN | disclosed |
| CN-1349509-A | Compounds as anti-inflammatory agents | BOEHRINGER INGELHEIM PHARMA (US) | 2002-05-15 | — | — | CN | disclosed |