Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.61 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.58 |
| ▸ | CNR1 | P21554 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | MC4R | P32245 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL15887532 | 0.84 | SIGMAR1 (0.70) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL13181363 | 0.84 | SIGMAR1 (0.70) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL29059547 | 0.83 | SIGMAR1 (0.81) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| N-Benzylamphetamine SCHEMBL2795222 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Etilamfetamine SCHEMBL16866783 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| N-Benzylamphetamine SCHEMBL2451256 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Etilamfetamine SCHEMBL309802 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Etilamfetamine SCHEMBL162316 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| N-Benzylamphetamine SCHEMBL2798189 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3888366 | 0.79 | SIGMAR1 (0.68) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9682944-B2 | Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors | PIRAMAL IMAGING SA (CH) | 2017-06-20 | — | — | US | disclosed |
| EP-2129369-A1 | TREATMENT OF ADHD | Gosforth Centre (Holdings) Pty Ltd (AU) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008095253-A1 | TREATMENT OF ADHD | GOSFORTH CENTRE (HOLDINGS) PTY LTD (AU) | 2008-08-14 | — | — | WO | disclosed |
| US-5589513-A | TREATMENT OF NEURODEGENERATIVE DISEASES; MONOAMINE OXIDASE INHIBITOR AND UPTAKE INHIBITOR | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1996-12-31 | — | — | US | disclosed |