Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 10/20 | 0.43 |
| ▸ | DBF4 | Q9UBU7 | 10/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.39 |
| ▸ | CDK2 | P24941 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17376763 | 0.80 | CYP2A6 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6812091 | 0.80 | MAPT (0.40) | MAPTLMNAKDM4ECYP1A2CYP3A4 | |
| SCHEMBL28848007 | 0.80 | ESR1 (0.43) | MAPTLMNAKDM4ECYP1A2CYP2C9 | |
| SCHEMBL27811389 | 0.80 | NPC1 (0.42) | MAPTKDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27797494 | 0.77 | IKBKB (0.40) | HDAC6MAPTTSHRKDM4ECYP1A2 | |
| SCHEMBL27499183 | 0.77 | CDC7 (0.43) | GSK3BCDC7DBF4ROCK1CCNE1 | |
| SCHEMBL19887438 | 0.76 | PIK3CA (0.38) | PRKCILMNANPC1RAB9A | |
| SCHEMBL4627777 | 0.76 | HCAR3 (0.32) | — | |
| SCHEMBL12876559 | 0.76 | ALDH1A1 (0.42) | HDAC4HDAC1HDAC6LMNATSHR | |
| SCHEMBL566698 | 0.74 | APP (0.55) | HDAC6MAPTTSHRKDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019000024-A1 | HIGHLY EMISSIVE PYRIDINIUM ENOLATES | THE UNIVERSITY OF MELBOURNE (AU) | 2019-01-03 | — | — | WO | disclosed |
| WO-2015197187-A1 | PYRAZOLYL-BASED CARBOXAMIDES V | Grünenthal GmbH (DE) | 2015-12-30 | — | — | WO | disclosed |
| EP-0717740-A1 | PHOTOCHROMIC COMPOUNDS, METHODS AND INTERMEDIATES FOR PRODUCING THEM AND THEIR USE | Ciba SC Holding AG (CH) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007275-A1 | PHOTOCHROMIC COMPOUNDS, METHODS AND INTERMEDIATES FOR PRODUCING THEM AND THEIR USE | CIBA-GEIGY AG (CH) | 1995-03-16 | — | — | WO | disclosed |