Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9058332 | 1.00 | CYP2A6 (0.40) | CYP2A6KDM4ECYP3A4THRBTSHR | |
| SCHEMBL8075941 | 0.83 | TP53 (0.51) | KDM4EMAPK1ALDH1A1 | |
| SCHEMBL8070733 | 0.81 | CHRNB2 (0.46) | CYP2A6ALDH1A1 | |
| SCHEMBL8072339 | 0.80 | DRD4 (0.44) | KDM4ECYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL24154837 | 0.77 | KDM4E (0.42) | CYP2A6KDM4ECYP3A4THRBTSHR | |
| SCHEMBL8072336 | 0.72 | ALDH1A1 (0.43) | KDM4ENPSR1ALDH1A1 | |
| SCHEMBL8076992 | 0.71 | CHRNA7 (0.46) | CYP2A6KDM4ECYP3A4THRBTSHR | |
| SCHEMBL30116774 | 0.71 | CHRNA7 (0.46) | CYP2A6KDM4ECYP3A4THRBTSHR | |
| SCHEMBL8071268 | 0.68 | TSHR (0.46) | KDM4ECYP3A4TSHRMEN1KMT2A | |
| SCHEMBL30116744 | 0.68 | TSHR (0.46) | KDM4ECYP3A4TSHRMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996036637-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1996-11-21 | — | — | WO | claimed |
| US-6100269-A | ADMINISTERING TO PATIENT NICOTINIC RECEPTOR AGONISTIC DERIVATIVES OF 3-(PYRIDYL OR PYRIMIDYL)-2-AZABICYCLO(2.2.1) HEPTANE OR 2-AZABICYCLO(2.2.2.)OCTANE TO ELICIT NEUROTRANSMITTER SECRETION WITH REDUCED SIDE EFFECTS | BENCHERIF MEROUANE (US) | 2000-08-08 | — | — | US | disclosed |
| US-5583140-A | ADMINISTERING 2-AZABICYCLO(2.2.2)OCT-5-ENE DERIVATIVES TO TREAT NEURODEGENERATIVE DISORDERS SUCH AS SENILE DEMENTIA OF ALZHEIMER'S TYPE | TARGACEPT, INC. A CORP. OF DE, | 1996-12-10 | — | — | US | disclosed |
| WO-1996036637-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1996-11-21 | — | — | WO | disclosed |
| WO-1996036637-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1996-11-21 | — | — | WO | disclosed |