Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6647072 | 0.78 | NPC1 (0.57) | MEN1KMT2ANPC1CYP1A1CYP1B1 | |
| SCHEMBL6648656 | 0.78 | KMT2A (0.57) | MEN1KMT2ANPC1CYP1A1CYP1B1 | |
| SCHEMBL6646480 | 0.76 | CYP17A1 (0.58) | MEN1KMT2ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL6627147 | 0.74 | KDM4E (0.55) | KMT2ANPC1RAB9AKDM4ECYP19A1 | |
| SCHEMBL6651242 | 0.74 | SCN9A (0.42) | NPC1SMN1; SMN2RAB9AKDM4ECYP19A1 | |
| SCHEMBL18997359 | 0.74 | KMT2A (0.55) | MEN1KMT2ANPC1CYP1A1CYP1B1 | |
| SCHEMBL6649842 | 0.73 | CYP19A1 (0.52) | KMT2ANPC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL19626481 | 0.71 | KMT2A (0.61) | MEN1KMT2ANPC1CYP1A1CYP1B1 | |
| SCHEMBL6649421 | 0.71 | KDM4E (0.50) | MEN1KMT2ANPC1CYP1A1CYP1B1 | |
| SCHEMBL6651514 | 0.71 | RAB9A (0.46) | MEN1KMT2ANPC1MAPTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1432706-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027085-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |