Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.60 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.60 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 9/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7970105 | 1.00 | IP6K1 (0.60) | IP6K1IP6K3IP6K2ESR1THRB | |
| SCHEMBL584591 | 0.95 | THRB (0.61) | IP6K1IP6K3IP6K2ESR1THRB | |
| SCHEMBL584592 | 0.95 | THRB (0.61) | IP6K1IP6K3IP6K2ESR1THRB | |
| Hydrochloric Acid SCHEMBL27902702 | 0.93 | THRB (0.59) | IP6K1IP6K3IP6K2ESR1THRB | |
| SCHEMBL867432 | 0.85 | SRD5A2 (0.50) | IP6K1IP6K3IP6K2ESR1THRB | |
| SCHEMBL2672355 | 0.85 | SRD5A2 (0.50) | IP6K1IP6K3IP6K2ESR1THRB | |
| SCHEMBL867431 | 0.85 | SRD5A2 (0.50) | IP6K1IP6K3IP6K2ESR1THRB | |
| SCHEMBL2672350 | 0.85 | SRD5A2 (0.50) | IP6K1IP6K3IP6K2ESR1THRB | |
| SCHEMBL508138 | 0.83 | CA12 (0.55) | IP6K1IP6K3IP6K2ESR1CYP2D6 | |
| SCHEMBL508136 | 0.83 | CA12 (0.55) | IP6K1IP6K3IP6K2ESR1CYP2D6 |
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-3719004-A1 | PYRIDINIUM SALT AND PEST CONTROL AGENT | Nippon Soda Co., Ltd. (JP) | 2020-10-07 | — | — | EP | disclosed |
| US-9198913-B2 | Nitroimidazooxazines and their uses in anti-tubercular therapy | GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) | 2015-12-01 | — | — | US | disclosed |
| EP-2459571-B1 | NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY | GLOBAL ALLIANCE FOR TB DRUG DEV (US) | 2015-03-11 | — | — | EP | disclosed |
| US-6277502-B1 | ORGANOSILICON POLYMERS; LIQUID CRYSALS | ROLIC AG (CH) | 2001-08-21 | — | — | US | disclosed |