Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6819477 | 1.00 | CA12 (0.52) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL3056484 | 1.00 | CA12 (0.52) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL31039996 | 0.99 | CA12 (0.51) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL30888830 | 0.99 | CA12 (0.51) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL3991308 | 0.96 | CA12 (0.49) | CA12CA9CYP1A2CYP3A4ATM | |
| P-Cymene SCHEMBL3994274 | 0.91 | CNR2 (0.48) | CA12CA9CYP1A2CYP3A4ATM | |
| P-Cymene SCHEMBL14895952 | 0.89 | CNR2 (0.46) | CA12CA9CYP1A2CYP3A4ATM | |
| Isopropylbenzene SCHEMBL12473841 | 0.89 | CNR2 (0.44) | CA12CA9CYP1A2CYP3A4ATM | |
| P-Cymene SCHEMBL14895759 | 0.89 | CNR2 (0.46) | CA12CA9CYP1A2CYP3A4ATM | |
| P-Cymene SCHEMBL1681678 | 0.89 | CNR2 (0.46) | CA12CA9CYP1A2CYP3A4ATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2822952-A1 | ARYL ETHER-BASE KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-01-14 | — | — | EP | disclosed |
| WO-2013135869-A1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1,2-DI(FURAN-2-YL)ETHANE-1,2-DIOLS AND DERIVATES THEREOF | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUIMICA (ES) | 2013-09-19 | — | — | WO | disclosed |
| WO-2013134036-A1 | ARYL ETHER-BASE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-09-12 | — | — | WO | disclosed |
| WO-2004031168-A2 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES | LONZA AG (CH) | 2004-04-15 | — | — | WO | disclosed |